SCHEMBL4468098

SCHEMBL4468098

CC(C)(NC(=O)c1ccc(Br)s1)C(=O)Nc1ccc(N2CCOCC/C2=N/C#N)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.70
AR P10275 5/20 0.51
RAB9A P51151 5/20 0.38
HTT P42858 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL13965131 1.00 F10 (0.70) F10ARRAB9AHTTMEN1
SCHEMBL4461063 0.92 F10 (0.58) F10ARHTT
SCHEMBL4459632 0.87 F10 (0.86) F10ARRAB9AHTTMEN1
SCHEMBL6462937 0.84 F10 (0.78) F10ARRAB9AHTTMEN1
SCHEMBL4558783 0.83 F10 (0.48) F10RAB9AHTTMEN1KMT2A
SCHEMBL4558995 0.83 F10 (0.48) F10RAB9AHTTMEN1KMT2A
SCHEMBL4460992 0.83 F10 (1.00) F10AR
SCHEMBL13012476 0.82 F10 (0.47) F10RAB9AHTTMEN1KMT2A
SCHEMBL13012478 0.82 F10 (0.47) F10RAB9AHTTMEN1KMT2A
SCHEMBL4558837 0.82 F10 (0.47) F10RAB9AHTTMEN1KMT2A

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
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC F10 2132/4885AR 2088/4885RAB9A 1694/4885

“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.