SCHEMBL6457987

SCHEMBL6457987

CN1CCCN(c2ccc(NC(=O)C(C)(C)NC(=O)c3ccc(Cl)s3)cc2Cl)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.59
F10 P00742 5/20 0.58
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
PDE7A Q13946 1/20 0.45
NPY2R P49146 3/20 0.44
MITF O75030 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL6461381 0.91 AR (0.55) ARF10KMT2ALMNAMAPK1
SCHEMBL6455305 0.91 F10 (0.64) ARF10NPC1RAB9AKMT2A
SCHEMBL6454606 0.88 F10 (0.63) ARF10NPC1RAB9AKMT2A
SCHEMBL6455635 0.86 F10 (0.68) ARF10NPC1RAB9AKMT2A
SCHEMBL6455204 0.86 NPY2R (0.51) ARF10NPC1RAB9AKMT2A
SCHEMBL6460829 0.83 F10 (0.68) ARF10NPC1RAB9AKMT2A
SCHEMBL6454472 0.83 F10 (0.54) ARF10NPC1RAB9AKMT2A
SCHEMBL6454341 0.81 F10 (0.56) F10NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL2570856 0.81 AR (0.62) ARF10NPC1RAB9AKMT2A
SCHEMBL6464608 0.80 AR (0.54) ARF10NPC1RAB9AKMT2A

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 AR 3491/4885F10 1901/4885NPC1 1752/4885

“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.