SCHEMBL1970577

SCHEMBL1970577

COc1ccccc1Nc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
NPC1 O15118 6/20 0.65
MAPT P10636 2/20 0.65
TP53 P04637 2/20 0.65
LMNA P02545 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
CSNK2A1 P68400 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
AKR1C3 P42330 2/20 0.51
MAPK8 P45983 1/20 0.48
PIK3CG P48736 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
AKR1C2 P52895 1/20 0.48
AURKA O14965 1/20 0.47
USP2 O75604 1/20 0.47
PKM P14618 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
RAD52 P43351 1/20 0.46

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
SCHEMBL2927341 0.91 LMNA (0.65) RAB9ANPC1MAPTTP53LMNA
SCHEMBL13393452 0.88 NPC1 (0.59) RAB9ANPC1MAPTTP53LMNA
SCHEMBL3126228 0.85 AURKA (0.50) RAB9ANPC1MAPTTP53LMNA
SCHEMBL2926215 0.82 RAB9A (0.54) RAB9ANPC1MAPTTP53LMNA
SCHEMBL1966454 0.82 AKR1C3 (0.54) RAB9ANPC1CSNK2A1SMN1; SMN2AKR1C3
SCHEMBL3124178 0.82 AKR1C3 (0.54) RAB9ANPC1MAPTTP53LMNA
SCHEMBL2927773 0.81 AKR1C3 (0.51) RAB9ANPC1MAPTTP53LMNA
SCHEMBL2929452 0.80 AKR1C3 (0.71) RAB9ANPC1MAPTCSNK2A1SMN1; SMN2
SCHEMBL1964565 0.79 AKR1C3 (0.51) SMN1; SMN2AKR1C3AKR1C2AURKAUSP2
SCHEMBL3128528 0.78 AKR1C3 (0.52) RAB9ANPC1MAPTLMNACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 RAB9A 867/4885NPC1 4650/4885MAPT 480/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 RAB9A 2559/4885NPC1 275/4885MAPT 3514/4885

“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.