SCHEMBL13587737

SCHEMBL13587737

COC(=O)C1=C(C2CC2)NC(C)=C(C#N)C1c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.49
SLC6A3 Q01959 2/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
ALPL P05186 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8259588 0.90 NR3C2 (0.62) NR3C2SLC6A3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8252931 0.82 NR3C2 (0.50) NR3C2ALDH1A1SMN1; SMN2LMNACACNA1B
SCHEMBL8258895 0.82 NR3C2 (0.52) NR3C2SLC6A3ALDH1A1SMN1; SMN2LMNA
SCHEMBL8252675 0.82 ALDH1A1 (0.39) NR3C2SLC6A3ALDH1A1KMT2AKDM4E
SCHEMBL295535 0.81 NR3C2 (0.48) NR3C2ALDH1A1SMN1; SMN2LMNACACNA1B
SCHEMBL8259299 0.81 NR3C2 (0.51) NR3C2ALDH1A1SMN1; SMN2LMNACACNA1B
SCHEMBL3812166 0.80 HTT (0.43) NR3C2ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL294084 0.80 NR3C2 (0.50) NR3C2SLC6A3ALDH1A1SMN1; SMN2LMNA
SCHEMBL8260705 0.79 NR3C2 (0.50) NR3C2KMT2AMAPTTSHR
SCHEMBL8258778 0.79 ALDH1A1 (0.58) NR3C2ALDH1A1SMN1; SMN2KMT2AKDM4E

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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 NR3C2 12/4885SLC6A3 3580/4885ALDH1A1 3716/4885

“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.