SCHEMBL3130010

SCHEMBL3130010

CCc1cccc(CC)c1Nc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
KLF5 Q13887 1/20 0.44
CLCN2 P51788 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DDX3X O00571 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL2928155 0.90 AKR1C3 (0.53) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL2926215 0.87 RAB9A (0.54) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL1965111 0.85 AKR1C3 (0.55) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL1964392 0.82 AKR1C3 (0.55) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL1979157 0.82 KMT2A (0.49) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL20685301 0.81 POLB (0.55) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL16318709 0.80 AKR1C3 (0.50) AKR1C3POLBHSP90AA1ESR2TDP1
SCHEMBL2929452 0.79 AKR1C3 (0.71) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL14693614 0.79 SMN1; SMN2 (0.53) AKR1C3RAB9ANPC1MEN1KMT2A
SCHEMBL13315763 0.78 KDM4E (0.56) RAB9ANPC1MEN1KMT2AHPGD

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 6 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
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 AKR1C3 1724/4885RAB9A 867/4885NPC1 4650/4885

“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.