SCHEMBL6050316

SCHEMBL6050316

CC(=O)c1ccc(C#N)c(S)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPV4 Q9HBA0 2/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL27416076 0.78 CNR2 (0.41) SMN1; SMN2KDM4EALDH1A1GAAAR
SCHEMBL6746351 0.77 L3MBTL1 (0.43) SMN1; SMN2KDM4EALDH1A1GAAMEN1
SCHEMBL6750049 0.75 MAPK8 (0.39) SMN1; SMN2KDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL24894462 0.71 TRPV4 (0.36) TRPV4AR
SCHEMBL6190450 0.71 HRH4 (0.42) SMN1; SMN2KDM4ECYP11B1CYP11B2TRPV4
SCHEMBL13202515 0.69 ALDH1A1 (0.35) SMN1; SMN2KDM4EALDH1A1GAAMAPT
SCHEMBL9649454 0.68 MAPK8 (0.34) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL15971691 0.68 KDM1A (0.34) KDM4EALDH1A1GAAMAPT
SCHEMBL14127731 0.67 EGFR (0.33) SMN1; SMN2KDM4ECYP11B1CYP11B2ALDH1A1
SCHEMBL18805561 0.67 TRPV4 (0.45) SMN1; SMN2KDM4ECYP11B1CYP11B2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO 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-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 SMN1; SMN2 3944/4885KDM4E 2778/4885CYP11B1 112/4885

“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.