SCHEMBL19631289

SCHEMBL19631289

N#Cc1ccc(C#N)c2occc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
AR P10275 1/20 0.32
CYP2A6 P11509 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL24947172 0.88 IMPDH2 (0.31) IMPDH2IMPDH1CYP19A1
SCHEMBL2122013 0.85 UPP1 (0.33) CYP19A1
SCHEMBL3603406 0.84 TRPV4 (0.37) CYP19A1AR
SCHEMBL13453306 0.84 TSHR (0.38) IMPDH2IMPDH1CYP19A1KDM4EALDH1A1
SCHEMBL2123499 0.84 UPP1 (0.32) IMPDH2IMPDH1CYP19A1ALDH1A1GAA
SCHEMBL13453307 0.84 TSHR (0.38) IMPDH2IMPDH1CYP19A1KDM4EALDH1A1
SCHEMBL24947173 0.81 CYP19A1 (0.32) CYP19A1
SCHEMBL24946531 0.79 CYP19A1 (0.36) CYP19A1
SCHEMBL2122119 0.79 IMPDH2 (0.54) IMPDH2IMPDH1KDM4EALDH1A1AR
SCHEMBL24947197 0.79 CYP19A1 (0.36) CYP19A1

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-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 IMPDH2 4164/4885IMPDH1 4115/4885CYP19A1 1566/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 IMPDH2 4164/4885IMPDH1 4115/4885CYP19A1 1566/4885

“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.