SCHEMBL6457776

SCHEMBL6457776

CN1CCCN(c2ccc(NC(=O)[C@@H](CO)NC(=O)c3ccc(Cl)s3)cc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.57
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6460727 0.89 F10 (0.51) F10KDM4ERECQLNPC1RAB9A
SCHEMBL6454341 0.88 F10 (0.56) F10KDM4ERECQLNPC1RAB9A
SCHEMBL6459718 0.86 F10 (0.54) F10KDM4ERECQLNPC1RAB9A
SCHEMBL6459829 0.83 F10 (0.55) F10MEN1KMT2AMAPT
Trifluoroacetic Acid SCHEMBL6462223 0.83 F10 (0.51) F10NPC1RAB9A
SCHEMBL3031666 0.82 F10 (0.58) F10KMT2A
SCHEMBL6460477 0.81 F10 (0.54) F10KMT2A
SCHEMBL6460670 0.80 F10 (0.50) F10
SCHEMBL6461335 0.80 F10 (0.51) F10KDM4ERECQLNPC1RAB9A
SCHEMBL6457987 0.79 AR (0.59) F10KDM4ERECQLNPC1RAB9A

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 F10 1901/4885KDM4E 2298/4885RECQL 763/4885

“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.