SCHEMBL6750672

SCHEMBL6750672

[O]c1ccccc1NC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.48
PABPC1 P11940 1/20 0.42
HTT P42858 1/20 0.35
KDM5A P29375 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP2A6 P11509 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL30527294 0.84 ALDH1A1 (0.57) TSHRALDH1A1PABPC1HTTKDM5A
SCHEMBL8763290 0.84 ALDH1A1 (0.57) TSHRALDH1A1PABPC1HTTKDM5A
SCHEMBL9574588 0.76 TSHR (0.46) TSHRALDH1A1PABPC1
SCHEMBL5524482 0.75 ALDH1A1 (0.47) TSHRALDH1A1MEN1LMNAKMT2A
SCHEMBL4457777 0.73 TSHR (0.47) TSHRALDH1A1PABPC1HTTKDM5A
SCHEMBL1331721 0.73 LMNA (0.55) TSHRALDH1A1PABPC1HTTKDM5A
SCHEMBL10562957 0.73 TSHR (0.47) TSHRALDH1A1PABPC1HTTKDM5A
SCHEMBL20862121 0.73 TSHR (0.47) TSHRALDH1A1PABPC1HTTKDM5A
SCHEMBL227131 0.73 TSHR (0.47) TSHRALDH1A1PABPC1MEN1LMNA
SCHEMBL9800976 0.73 NPC1 (0.50) TSHRALDH1A1PABPC1HTTTDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 US disclosed
EP-0007710-A1 Bicyclo(3.1.0)hexyl-substituted carbonylaminophenoxy compounds, their preparation, and compositions containing them for use in treating mammals SYNTEX (U.S.A.) INC. (US) 1980-02-06 EP disclosed
EP-0007710-A1 Bicyclo(3.1.0)hexyl-substituted carbonylaminophenoxy compounds, their preparation, and compositions containing them for use in treating mammals SYNTEX (U.S.A.) INC. (US) 1980-02-06 EP 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 (3 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 TSHR 579/4885ALDH1A1 3412/4885PABPC1 3363/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 TSHR 577/4885ALDH1A1 2867/4885PABPC1 3329/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 TSHR 685/4885ALDH1A1 3151/4885PABPC1 3542/4885

“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.