SCHEMBL6454472

SCHEMBL6454472

CN1CCCN(c2ccc(NC(=O)C(C)(C)NC(=O)c3ccc(Br)s3)cc2Br)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.54
AR P10275 4/20 0.54
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.42
NFKB1 P19838 4/20 0.42
RAB9A P51151 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40

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
SCHEMBL6455305 0.92 F10 (0.64) F10ARMEN1KMT2AMAPT
SCHEMBL6464608 0.90 AR (0.54) F10ARMEN1KMT2AMAPT
SCHEMBL6462066 0.88 AR (0.51) F10ARMEN1KMT2AMAPT
SCHEMBL6455314 0.87 F10 (0.55) F10ARMEN1KMT2AMAPT
SCHEMBL5562224 0.86 F10 (0.40) F10ARMEN1KMT2ANPC1
SCHEMBL4473493 0.83 F10 (0.62) F10ARMEN1KMT2AMAPT
SCHEMBL6457987 0.83 AR (0.59) F10ARMEN1KMT2AMAPT
SCHEMBL2572274 0.80 AR (0.60) F10ARMEN1KMT2AMAPT
SCHEMBL6461381 0.80 AR (0.55) F10ARKMT2AMAPK1
SCHEMBL3427677 0.80 F10 (0.69) F10ARMEN1KMT2AMAPT

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 3491/4885MEN1 2340/4885

“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.