SCHEMBL1331422

SCHEMBL1331422

Cc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.74
▸ TNF P01375 1/20 0.73
▸ AGTR1 P30556 3/20 0.69
▸ AGTR2 P50052 3/20 0.69
▸ GALR3 O60755 2/20 0.68
▸ NR2F2 P24468 2/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ PPARG P37231 1/20 0.65
▸ PTAFR P25105 1/20 0.61
▸ DRD2 P14416 1/20 0.60
▸ TBXA2R P21731 1/20 0.60
▸ HRH3 Q9Y5N1 4/20 0.58
▸ APAF1 O14727 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ GAA P10253 1/20 0.55

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
Hydrochloric Acid SCHEMBL3500155 0.99 HDAC1 (0.73) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL9302226 0.90 HDAC1 (0.73) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL3668391 0.85 HDAC1 (0.73) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL12850475 0.85 HDAC1 (1.00) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL14000450 0.85 HDAC1 (0.81) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL231295 0.85 TNF (1.00) HDAC1HDAC6TNFGALR3NR2F2
SCHEMBL6169195 0.85 TNF (0.62) HDAC1HDAC6TNFAGTR1AGTR2
SCHEMBL2884309 0.85 ALDH1A1 (0.74) AGTR1AGTR2PPARGDRD2TBXA2R
SCHEMBL28989060 0.84 AGTR1 (0.67) HDAC1HDAC6AGTR1AGTR2PPARG
SCHEMBL9256992 0.84 HDAC1 (0.68) HDAC1HDAC6TNFAGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281871-A1 TAAR1 LIGANDS GALLEY GUIDO (DE) 2011-11-17 — — US disclosed
US-8008305-B2 TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-08-30 — — US disclosed
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 — — EP disclosed
US-20090036452-A1 TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 — — WO disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 — — WO disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 — — US disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 — — US disclosed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 — — US disclosed
EP-0734386-B1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LAB (US) 2002-02-06 — — EP disclosed
EP-0734386-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES Abbott Laboratories (US) 1996-10-02 — — EP disclosed
US-5486525-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-23 — — US disclosed
WO-1995016687-A1 PLATELET ACTIVATING FACTOR ANTAGONISTS: IMIDAZOPYRIDINE INDOLES ABBOTT LABORATORIES (US) 1995-06-22 — — WO disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 — — 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 (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-20090036452-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 HDAC1 1100/4885HDAC6 2016/4885TNF 4688/4885
US-20110281871-A1 TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 HDAC1 1100/4885HDAC6 2016/4885TNF 4688/4885
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HDAC1 482/4885HDAC6 425/4885TNF 3616/4885

“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.

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