SCHEMBL833831

SCHEMBL833831

Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CSC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2D6 P10635 1/20 0.73
MAPT P10636 3/20 0.67
THRB P10828 1/20 0.67
KMT2A Q03164 5/20 0.65
HSD17B10 Q99714 5/20 0.65
MEN1 O00255 4/20 0.65
POLB P06746 4/20 0.65
NPSR1 Q6W5P4 3/20 0.59
USP2 O75604 2/20 0.59
RECQL P46063 2/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 6/20 0.58
TSHR P16473 4/20 0.58
KDM4E B2RXH2 4/20 0.58
FPR1 P21462 1/20 0.58
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.54
ENPP2 Q13822 2/20 0.52

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
SCHEMBL30957223 0.78 HTT (0.72) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL31157807 0.77 ALDH1A1 (0.71) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL31120333 0.76 ALDH1A1 (0.70) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL4941399 0.75 MAPT (0.64) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL5449752 0.75 MEN1 (0.61) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL4881075 0.75 HSD17B10 (0.65) CYP3A4CYP2C9CYP2D6MAPTKMT2A
SCHEMBL4878334 0.74 ALDH1A1 (0.67) CYP3A4CYP2C9CYP2D6KMT2APOLB
SCHEMBL4938012 0.73 MAPT (0.66) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL4882118 0.72 ENPP2 (0.57) CYP3A4CYP2C9MAPTTHRBKMT2A
SCHEMBL4878792 0.71 ALDH1A1 (0.66) CYP3A4CYP2C9CYP2D6KMT2AUSP2

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 6 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
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 US disclosed
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 CYP3A4 4321/4885CYP2C9 4581/4885CYP2D6 4505/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 CYP3A4 4321/4885CYP2C9 4581/4885CYP2D6 4505/4885

“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.