SCHEMBL9920140

SCHEMBL9920140

COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.67
MEN1 O00255 9/20 0.66
KMT2A Q03164 9/20 0.66
HSD17B10 Q99714 6/20 0.66
MAPT P10636 6/20 0.66
KDM4E B2RXH2 6/20 0.66
ALOX15 P16050 4/20 0.66
BRCA1 P38398 3/20 0.66
HBB P68871 2/20 0.66
RXFP1 Q9HBX9 2/20 0.66
MAPK1 P28482 2/20 0.66
TP53 P04637 1/20 0.66
HPGD P15428 6/20 0.58
ALOX12 P18054 1/20 0.54
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RECQL P46063 1/20 0.51
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
MPO P05164 1/20 0.49

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
SCHEMBL15572874 0.77 MEN1 (0.68) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL4426903 0.75 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL4331808 0.70 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL28313771 0.69 CYP3A4 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL30360992 0.68 CYP3A4 (0.59) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL834711 0.67 EEF2K (0.67) ALDH1A1MEN1KMT2AHSD17B10MAPT
Ammonia Solution, Strong SCHEMBL9291323 0.66 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1608900 0.66 AR (0.69) ALDH1A1KDM4EGAAPOLB
SCHEMBL25705924 0.65 MEN1 (0.59) ALDH1A1MEN1KMT2AKDM4EHPGD
Water SCHEMBL28213911 0.65 ALDH1A1 (0.91) ALDH1A1MEN1KMT2AHSD17B10MAPT

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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 US disclosed
US-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 ALDH1A1 4125/4885MEN1 3485/4885KMT2A 4780/4885

“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.