SCHEMBL6461804

SCHEMBL6461804

Cc1cc(NC(=O)C(C)(C)NC(=O)c2ccc(Cl)s2)ccc1N1CCCN1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.65
AR P10275 3/20 0.56
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL6454451 0.97 F10 (0.66) F10ARKDM4ENPC1ALDH1A1
SCHEMBL6455350 0.83 F10 (0.64) F10ARNPC1ALDH1A1RAB9A
SCHEMBL6457868 0.83 F10 (0.68) F10ARKDM4ENPC1ALDH1A1
SCHEMBL6466092 0.81 F10 (0.76) F10ARKDM4ENPC1ALDH1A1
SCHEMBL6455260 0.81 F10 (0.68) F10ARNPC1ALDH1A1RAB9A
SCHEMBL6455289 0.80 F10 (0.67) F10ARNPC1ALDH1A1RAB9A
SCHEMBL6462057 0.80 F10 (0.63) F10ARKDM4ENPC1ALDH1A1
SCHEMBL5562241 0.79 NPY2R (0.41) F10ARNPC1RAB9A
SCHEMBL4463259 0.79 F10 (0.74) F10ARKMT2ALMNAMAPK1
SCHEMBL3427505 0.79 F10 (1.00) F10ARKDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1901/4885AR 3491/4885KDM4E 2298/4885

“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.