SCHEMBL16017173

SCHEMBL16017173

Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
CRACR2A Q9BSW2 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
ROCK1 Q13464 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL16017197 0.88 ALDH1A1 (0.58) HSD17B10ALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL16019771 0.82 ALDH1A1 (0.48) HSD17B10ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL16017252 0.82 ALDH1A1 (0.52) DGAT1ALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL16017206 0.81 MEN1 (0.52) DGAT1GAAALDH1A1SMN1; SMN2NPC1
SCHEMBL16017182 0.80 BACE1 (0.44) HSD17B10ALDH1A1KDM4ERAB9APOLB
SCHEMBL16019788 0.79 DGAT1 (0.44) DGAT1HSD17B10ALDH1A1KDM4ERAB9A
SCHEMBL16017205 0.79 GRM1 (0.52) NPC1RAB9A
SCHEMBL14887705 0.79 CRACR2A (0.58) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL14887485 0.79 CRACR2A (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL14887484 0.78 CRACR2A (0.45) HSD17B10ALDH1A1KDM4ERAB9APOLB

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 DGAT1 1057/4885GAA 994/4885HSD17B10 3352/4885

“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.