SCHEMBL6159451

SCHEMBL6159451

Cn1c(CCc2ccc(C#N)cc2)nc2cc(NCc3cccc4ccccc34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.42
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
TP53 P04637 3/20 0.42
PKM P14618 2/20 0.42
HTT P42858 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
NTRK1 P04629 6/20 0.41
NTRK2 Q16620 6/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL6160686 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2GAANTRK1
SCHEMBL7562578 0.81 ALOX5AP (0.41) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL7113060 0.80 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL6982827 0.80 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL6159720 0.80 ITK (0.46) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL6159112 0.79 NPC1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL8031770 0.77 F2 (0.54) SMN1; SMN2PKMALDH1A1F2
SCHEMBL7120171 0.77 HDAC1 (0.43) RAB9AHTTNTRK1NTRK2F2
SCHEMBL6637025 0.76 PAX8 (0.64) RAB9ASMN1; SMN2TP53PKMHTT
SCHEMBL7115169 0.75 F2 (0.42) RAB9AKMT2ANTRK1NTRK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237877-B1 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 EP disclosed
US-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed
US-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-06-05 US disclosed
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP disclosed
WO-2002062785-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 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-20030105137-A1 Benzimidazole derivatives, processes for preparing them and their use as pharmaceutical compositions CMA1, TPSD1, TPSAB1 NPC1 3133/4885RAB9A 2403/4885SMN1; SMN2 3071/4885

“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.