SCHEMBL16017206

SCHEMBL16017206

Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
MAPT P10636 4/20 0.48
MET P08581 4/20 0.47
EGFR P00533 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARA Q07869 1/20 0.45
DGAT1 O75907 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 1/20 0.43
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43

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
SCHEMBL14887483 0.87 RAB9A (0.47) ALDH1A1SMN1; SMN2TP53NPC1TRPV1
SCHEMBL16019803 0.81 ORAI1 (0.44) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL16017173 0.81 DGAT1 (0.45) POLBMAPTALDH1A1DGAT1GAA
SCHEMBL14887776 0.80 CRACR2A (0.60) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL14887328 0.80 CRACR2A (0.60) KMT2AALDH1A1TRPV1
SCHEMBL14887705 0.79 CRACR2A (0.58) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL14887485 0.79 CRACR2A (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16017252 0.78 ALDH1A1 (0.52) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL16017183 0.77 CRACR2A (0.55) MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL16017197 0.77 ALDH1A1 (0.58) MEN1KMT2APOLBMAPTALDH1A1

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885POLB 4774/4885

“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.