SCHEMBL6457967

SCHEMBL6457967

CN1CCCN(c2ccc(NC(=O)C3(NC(=O)c4ccc(Br)s4)CCCC3)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 9/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
MAPT P10636 6/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 5/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
GAA P10253 1/20 0.46
F10 P00742 2/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
MITF O75030 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL6462240 0.94 F10 (0.46) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL6457978 0.85 F10 (0.46) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL6461795 0.81 CTSL (0.45) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL2571467 0.81 NPC1 (0.58) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL6455305 0.81 F10 (0.64) NPC1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL8284247 0.81 F10 (0.45) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL4463198 0.80 F10 (0.57) NPC1RAB9ACTSLCTSBCTSS
SCHEMBL4463507 0.80 F10 (0.68) CTSLCTSBCTSSF10
SCHEMBL4473469 0.79 F10 (0.67) F10
SCHEMBL4463938 0.79 F10 (0.58) NPC1RAB9ACTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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 (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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 NPC1 1752/4885RAB9A 3277/4885CTSL 1657/4885

“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.