SCHEMBL91591

SCHEMBL91591

O=C(NCC(=O)N1CCC(Nc2ccccc2Br)CC1)C1=NNC(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 3/20 0.37
CCR2 P41597 2/20 0.37
KMT2A Q03164 3/20 0.37
USP30 Q70CQ3 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
THRA P10827 1/20 0.36
VDR P11473 1/20 0.36
JUN P05412 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
LDHA P00338 1/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL91602 0.89 KMT2A (0.43) SMN1; SMN2SCDCCR2KMT2AUSP30
SCHEMBL91624 0.89 EPHX2 (0.42) SMN1; SMN2SCDCCR2KMT2AUSP30
SCHEMBL10274200 0.87 SCD (0.44) SMN1; SMN2SCDCCR2KMT2AUSP30
SCHEMBL92466 0.85 SCD (0.51) SMN1; SMN2SCDUSP30
SCHEMBL10273704 0.84 EGLN1 (0.38) SMN1; SMN2SCDCCR2KMT2AEGLN1
SCHEMBL92481 0.84 SMN1; SMN2 (0.39) SMN1; SMN2SCDCCR2KMT2AUSP30
SCHEMBL92583 0.82 SMN1; SMN2 (0.39) SMN1; SMN2SCDCCR2KMT2ARAB9A
SCHEMBL29384876 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARAB9APOLBMEN1
SCHEMBL68645 0.77 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ARAB9APOLBMEN1
SCHEMBL70773 0.76 P2RY12 (0.41) SMN1; SMN2SCD

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 3937/4885SCD 1/4885CCR2 1423/4885

“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.