SCHEMBL6454562

SCHEMBL6454562

Cc1cc(NC(=O)C2(NC(=O)c3ccc(Cl)s3)CC3CCC2O3)ccc1N1CCCCN1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.40
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6454350 0.84 F10 (0.39) F10ALDH1A1HPGDNPC1RAB9A
SCHEMBL4465122 0.79 F10 (0.47) F10
SCHEMBL6454183 0.79 F10 (0.45) F10ALDH1A1HPGDNPC1RAB9A
SCHEMBL4456137 0.79 F10 (0.44) F10ALDH1A1KMT2AMEN1
SCHEMBL4564715 0.79 F10 (0.44) F10ALDH1A1KMT2AMEN1
SCHEMBL5564338 0.78 RAB9A (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3426030 0.76 F10 (0.45) F10KDM4ENPSR1RXFP1
SCHEMBL3428811 0.76 F10 (0.41) F10ALDH1A1HPGDNPC1RAB9A
SCHEMBL6457868 0.74 F10 (0.68) F10ALDH1A1HPGDNPC1RAB9A
SCHEMBL3426176 0.73 CA12 (0.36) F10ALDH1A1HPGDSMN1; SMN2KMT2A

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 1901/4885ALDH1A1 1734/4885HPGD 4426/4885

“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.