SCHEMBL8744712

SCHEMBL8744712

Cc1ccc(C(=O)CN)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TP53 P04637 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
SCHEMBL10912991 0.84 MEN1 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL9274995 0.82 RAB9A (0.53) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL2648128 0.82 HSD11B1 (0.54) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL581464 0.82 HSD11B1 (0.54) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL5954815 0.81 HPGD (0.50) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5955284 0.81 LOXL2 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL11824924 0.80 HSD11B1 (0.53) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL1434608 0.80 GSK3B (0.59) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL8420333 0.80 RAB9A (0.56) HSD11B1NPC1RAB9AKMT2AMEN1
SCHEMBL30016132 0.80 GSK3B (0.59) HSD11B1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083358-A1 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA FRATAGENE THERAPEUTICS S.R.L. (IT) 2016-03-24 US disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed
US-4275213-A Isoxazolyl derivatives of 9α,11α-epoxy imino-9,11,15-trideoxy-PGF-type compounds THE UPJOHN COMPANY (US) 1981-06-23 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 (2 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSD11B1 1019/4885NPC1 824/4885RAB9A 661/4885
US-20160083358-A1 COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA ATXN10, ATXN2, ATXN2L HSD11B1 3849/4885NPC1 2715/4885RAB9A 3063/4885

“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.