SCHEMBL502546

SCHEMBL502546

Cc1ccc([N+](=O)[O-])cc1CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 3/20 0.60
CYP3A4 P08684 3/20 0.55
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50
BLM P54132 1/20 0.50
PDE1B Q01064 1/20 0.50
PMP22 Q01453 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE7A Q13946 1/20 0.50
PDE1C Q14123 1/20 0.50
PDE7B Q9NP56 1/20 0.50
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16975448 0.86 ALDH1A1 (0.56) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL29796062 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL3075925 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL695751 0.85 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL14768876 0.85 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL10175659 0.85 ALDH1A1 (0.64) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL260788 0.82 CYP1A2 (0.51) ALDH1A1TDP1TSHRALOX15MAPT
SCHEMBL29367937 0.82 CYP1A2 (0.51) ALDH1A1TDP1TSHRALOX15MAPT
SCHEMBL30780892 0.81 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4PDE2A
SCHEMBL6206215 0.81 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCYP3A4PDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 US disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed
EP-4041231-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2022-08-17 EP disclosed
US-20220242846-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-08-04 US disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
US-20050159457-A1 Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors PAN WENXI (US) 2005-07-21 US disclosed
US-6900231-B2 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO disclosed
CN-1568307-A Aminopyridyl-substituted phenyl acetamides as protease inhibitors DIMENSIONAL PHARM INC (US) 2005-01-19 CN disclosed
EP-1324981-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-07-09 EP disclosed
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6521663-B2 For oral administration or embedded or otherwise attached to medical devices for blood collection and/or treatment 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS 2002-05-23 US disclosed
WO-2002028825-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 ALDH1A1 419/4885TDP1 1703/4885TSHR 541/4885
US-20230159549-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR ALDH1A1 1362/4885TDP1 1657/4885TSHR 3004/4885
US-20050159457-A1 Aminopyridinyl-, aminoguanidinyl- and alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors F12, TFPI, PLG ALDH1A1 2874/4885TDP1 865/4885TSHR 2389/4885
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 ALDH1A1 4150/4885TDP1 1868/4885TSHR 1410/4885
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC ALDH1A1 4740/4885TDP1 1219/4885TSHR 2103/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT ALDH1A1 3201/4885TDP1 1398/4885TSHR 2559/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 ALDH1A1 455/4885TDP1 2714/4885TSHR 581/4885
US-20220242846-A1 ISOINDOLINONE COMPOUNDS AOC2, AOC3, INF2 ALDH1A1 1331/4885TDP1 4323/4885TSHR 1677/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT ALDH1A1 2765/4885TDP1 1312/4885TSHR 2666/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.