Sugi Predict

Sugi Predict / Compounds / SCHEMBL3963208

SCHEMBL3963208

SCHEMBL3963208

COc1ccc(-n2c(C(=O)O)cc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.72
▸ TSHR P16473 1/20 0.72
▸ MCL1 Q07820 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ DAO P14920 1/20 0.50
▸ PLA2G10 O15496 2/20 0.49
▸ CYP19A1 P11511 1/20 0.47
▸ PTGES O14684 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ EDNRA P25101 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CCR2 P41597 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PPARG P37231 1/20 0.44

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
SCHEMBL3968965 0.87 ALDH1A1 (0.54) ALDH1A1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL3964309 0.87 ALDH1A1 (0.70) ALDH1A1TSHRMCL1KDM4EHPGD
SCHEMBL6408242 0.86 KDM4E (0.65) ALDH1A1TSHRKDM4EHPGDSMN1; SMN2
SCHEMBL11149761 0.85 ALDH1A1 (0.62) ALDH1A1TSHRMCL1KDM4EHPGD
SCHEMBL30194196 0.85 ALDH1A1 (1.00) ALDH1A1TSHRMCL1DAOPLA2G10
SCHEMBL5208338 0.85 ALDH1A1 (1.00) ALDH1A1TSHRMCL1DAOPLA2G10
SCHEMBL9260948 0.84 ALDH1A1 (0.79) ALDH1A1TSHRMCL1KDM4EHPGD
SCHEMBL9096764 0.83 ALDH1A1 (0.64) ALDH1A1TSHRMCL1KDM4EHPGD
SCHEMBL13802520 0.82 ALDH1A1 (0.67) ALDH1A1TSHRMCL1DAOPLA2G10
Dimethylamine SCHEMBL4930574 0.82 ALDH1A1 (0.87) ALDH1A1TSHRMCL1DAOPLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 — — US claimed
JP-2005514365-A — — 2005-05-19 — — JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 — — US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 — — US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 — — US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 — — US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 — — US disclosed
US-6583169-B2 Psychological disorders; nervous system disorders NEUROGEN CORPORATION 2003-06-24 — — US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 — — EP disclosed
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives NEUROGEN CORPORATION 2002-02-28 — — US disclosed
EP-1165517-A1 N-BENZIMIDAZOLYLMETHYL- AND N-INDOLYLMETHYL-BENZAMIDES AND THEIR USE AS CRF MODULATORS NEUROGEN CORPORATION (US) 2002-01-02 — — EP disclosed
US-6281237-B1 MODULATORS OF CRF RECEPTORS AND ARE THEREFORE USEFUL FOR TREATING AFFECTIVE DISORDERS, ANXIETY, DEPRESSION, EATING DISORDERS, AND STRESS DISORDERS NEUROGEN CORPORATION 2001-08-28 — — US disclosed
WO-2000059888-A1 N-BENZIMIDAZOLYLMETHYL- AND N-INDOLYLMETHYL-BENZAMIDES AND THEIR USE AS CRF MODULATORS NEUROGEN CORPORATION (US) 2000-10-12 — — 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 (4 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 ALDH1A1 2106/4885TSHR 232/4885MCL1 3427/4885
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives CRHR1, CRHR2, HTR2C ALDH1A1 1438/4885TSHR 196/4885MCL1 4276/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 ALDH1A1 1886/4885TSHR 484/4885MCL1 3049/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 ALDH1A1 1808/4885TSHR 244/4885MCL1 2764/4885

“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.