SCHEMBL4382163

SCHEMBL4382163

Cc1[nH]nc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
PDE10A Q9Y233 2/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
DHODH Q02127 3/20 0.46
AKT2 P31751 2/20 0.46
CHEK1 O14757 1/20 0.46
MAP2K4 P45985 1/20 0.45
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGDS O60760 1/20 0.44
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALPL P05186 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL14841145 0.86 MAPK1 (0.43) DHODHMAP2K4
SCHEMBL1528566 0.86 GAA (0.54) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL27499014 0.85 MAP2K4 (0.48) KMT2AMEN1KDM4ELMNADHODH
SCHEMBL10984267 0.83 HSP90AA1 (0.62) RAB9AKMT2AMEN1LMNAHPGDS
SCHEMBL11269746 0.81 HPGDS (0.61) RAB9AKMT2AMEN1KDM4ELMNA
SCHEMBL12273323 0.79 KMT2A (0.56) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL6195096 0.79 KDM4E (0.51) RAB9APDE10ATSHRKDM4ELMNA
SCHEMBL5069948 0.79 ALDH1A1 (0.49) RAB9APDE10ATSHRKDM4ELMNA
SCHEMBL462704 0.77 MEN1 (0.50) RAB9ATSHRKMT2AMEN1KDM4E
SCHEMBL4059335 0.76 CDK8 (0.60) RAB9AKMT2AMEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 EP disclosed
EP-0931060-A4 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES AVENTIS PHARMA INC (US) 2004-10-06 EP disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 WO disclosed
US-6323227-B1 PRODRUGS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-11-27 US disclosed
US-6140504-A Substituted intermediate compounds for the preparation of n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-31 US disclosed
US-6080767-A Substituted n-[(aminoiminomethyl or aminomethyl)phenyl]propyl amides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-27 US disclosed
EP-0931060-A1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-28 EP disclosed
WO-1999000356-A1 SUBSTITUTED N-[(AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL]PROPYL AMIDES RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1999-01-07 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 (1 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK RAB9A 4327/4885PDE10A 3229/4885TSHR 435/4885

“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.