SCHEMBL6315353

SCHEMBL6315353

Cc1c(C(=O)O)ccc(Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 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
SCHEMBL951353 0.84 CSNK2A2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31494238 0.83 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2921220 0.83 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18980394 0.81 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27544752 0.81 CSNK2A2 (0.49) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL598361 0.80 ALDH1A1 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL543452 0.79 ABL1 (0.53) ALDH1A1TSHRCASP1SMN1; SMN2KDM4E
SCHEMBL555823 0.79 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL671326 0.79 TSHR (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30374425 0.79 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-6906096-B2 4,7-Disubstituted indoles and methods of making IRM LLC (BM) 2005-06-14 US disclosed
US-20040110944-A1 4,7-Disubstituted indoles and methods of making IRM LLC (BM) 2004-06-10 US disclosed
WO-2004014294-A2 4,7-DISUBSTITUTED INDOLES AND METHODS OF MAKING IRM LLC (BM) 2004-02-19 WO disclosed
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP disclosed
EP-1157985-A1 Para- substituted phenylene derivatives and their use as integrin antagonists G.D. SEARLE & CO. (US) 2001-11-28 EP disclosed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed
US-6251944-B1 (VITRONECTIN RECEPTOR) INTEGRIN ANTAGONIST, USEFUL FOR TREATING ANGIOGENESIS, TUMOR GROWTH, TUMOR METASTASIS, OSTEOPOROSIS AND HUMORAL HYPERCALCEMIA OF MALIGNANCY G. D. SEARLE & COMPANY 2001-06-26 US disclosed
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
EP-0889877-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1999-01-13 EP disclosed
US-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
WO-1997036862-A1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed
US-4642240-A LOW CALORIE SWEETENERS GENERAL FOODS CORPORATION (US) 1987-02-10 US 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 (2 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-20040110944-A1 4,7-Disubstituted indoles and methods of making IDO1, IDO2, INMT GABRP 3350/4885GABRD 3792/4885GABRA1 2770/4885
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA GABRP 2052/4885GABRD 2103/4885GABRA1 1411/4885

“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.