SCHEMBL722022

SCHEMBL722022

NC(=O)c1c(F)cc(-c2ccc(Br)s2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.44
DGAT1 O75907 1/20 0.38
HSD17B1 P14061 8/20 0.37
HSD17B2 P37059 8/20 0.37
ERN1 O75460 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL722235 0.81 DGAT1 (0.54) SNCADGAT1HSD17B1HSD17B2IKBKB
SCHEMBL4340111 0.72 SNCA (0.59) SNCAHSD17B1HSD17B2KDM4ENPC1
SCHEMBL1987764 0.71 SNCA (0.50) SNCAHSD17B1HSD17B2KDM4ENPC1
SCHEMBL1317647 0.70 DGAT1 (0.55) DGAT1KDM4ENPC1MAPTRAB9A
SCHEMBL722510 0.69 SNCA (0.49) SNCADGAT1HSD17B1HSD17B2KDM4E
SCHEMBL19328797 0.68 DAO (0.46) HSD17B1HSD17B2ERN1KDM4ERAB9A
SCHEMBL1003390 0.66 CES2 (0.44) DGAT1ERN1CES2CES1KMT2A
SCHEMBL2778388 0.65 SNCA (0.61) SNCAKDM4ENPC1MAPTRAB9A
SCHEMBL2781092 0.65 SNCA (0.42) SNCAHSD17B1HSD17B2KDM4ENPC1
SCHEMBL1995968 0.65 SNCA (0.52) SNCAHSD17B1HSD17B2KDM4ENPC1

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-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SNCA 555/4885DGAT1 1057/4885HSD17B1 4121/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SNCA 555/4885DGAT1 1057/4885HSD17B1 4121/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SNCA 555/4885DGAT1 1057/4885HSD17B1 4121/4885

“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.