SCHEMBL502270

SCHEMBL502270

Cc1ccc([N+](=O)[O-])cc1CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.64
ALDH1A1 P00352 7/20 0.55
TDP1 Q9NUW8 3/20 0.55
TSHR P16473 2/20 0.55
CYP3A4 P08684 3/20 0.50
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
PDE2A O00408 1/20 0.46
PDE5A O76074 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
PDE4A P27815 1/20 0.46
BLM P54132 1/20 0.46
PDE1B Q01064 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE7A Q13946 1/20 0.46
PDE1C Q14123 1/20 0.46

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
SCHEMBL1625912 0.87 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL9323520 0.87 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL28040672 0.85 ALDH1A1 (0.53) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL28290292 0.84 NPSR1 (0.56) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL24773996 0.83 CYP1A2 (0.69) CYP1A2ALDH1A1TDP1CYP3A4MAPT
SCHEMBL502591 0.83 PDGFRB (0.53) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL4236872 0.81 CYP1A2 (0.66) CYP1A2ALDH1A1TSHRLMNAKMT2A
SCHEMBL8372937 0.81 CYP1A2 (0.66) CYP1A2ALDH1A1TDP1TSHRCYP3A4
SCHEMBL4686532 0.81 CYP1A2 (0.66) CYP1A2ALDH1A1TSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
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
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-3573961-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2023-10-25 EP disclosed
CN-106336382-B 4-saturated cyclic substituted aniline protein kinase inhibitor 杭州雷索药业有限公司 2022-04-05 CN disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
WO-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed
EP-3902796-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER Nexys Therapeutics, Inc. (US) 2021-11-03 EP disclosed
CN-113348167-A (pyridin-2-yl) amine derivatives as TGF-beta R1(ALK5) inhibitors for the treatment of cancer 奈可萨斯医药有限公司 2021-09-03 CN disclosed
US-6743809-B2 Indole Derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
EP-1305307-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-05-06 EP disclosed
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US disclosed
EP-1324981-A2 AMINOPYRIDINYL-, AMINOGUANIDINYL- AND ALKOXYGUANIDINYL- SUBSTITUTED PHENYL ACETAMIDES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-07-09 EP disclosed
EP-1305307-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. Lundbeck A/S (DK) 2003-05-02 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
WO-2002008223-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-31 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 (6 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 CYP1A2 1833/4885ALDH1A1 419/4885TDP1 1703/4885
US-20020061872-A1 Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors TFPI, PLG, PLAT CYP1A2 3303/4885ALDH1A1 3201/4885TDP1 1398/4885
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders DRD2, DRD3, CNR1 CYP1A2 456/4885ALDH1A1 815/4885TDP1 1971/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 CYP1A2 3758/4885ALDH1A1 455/4885TDP1 2714/4885
US-20030073833-A1 Aminopyridyl-substituted phenyl acetamides as protease inhibitors TFPI, F12, PLAT CYP1A2 2955/4885ALDH1A1 2765/4885TDP1 1312/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 CYP1A2 1833/4885ALDH1A1 419/4885TDP1 1703/4885

“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.