SCHEMBL722235

SCHEMBL722235

NC(=O)c1ccc(-c2ccc(Br)s2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.54
SNCA P37840 1/20 0.49
GPR52 Q9Y2T5 1/20 0.40
IKBKB O14920 4/20 0.40
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.40
EIF2AK2 P19525 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSD17B1 P14061 8/20 0.40
HSD17B2 P37059 8/20 0.40
PRF1 P14222 2/20 0.39
MAPK1 P28482 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CHUK O15111 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL722510 0.82 SNCA (0.49) DGAT1SNCAIKBKBMEN1KMT2A
SCHEMBL722022 0.81 SNCA (0.44) DGAT1SNCAIKBKBMEN1KMT2A
SCHEMBL150293 0.71 DGAT1 (1.00) DGAT1KMT2APARP15PARP10CYP2C19
SCHEMBL13927718 0.70 IKBKB (0.61) DGAT1IKBKBCHUK
SCHEMBL30131431 0.70 IKBKB (0.61) DGAT1IKBKBCHUK
SCHEMBL5438348 0.70 KIF11 (0.61) DGAT1GPR52KIF11
SCHEMBL5422686 0.70 KIF11 (0.58) DGAT1KIF11
SCHEMBL16265070 0.70 SNCA (0.49) SNCAMEN1KMT2APRF1CYP2C19
Hydrochloric Acid SCHEMBL26618126 0.70 DGAT1 (0.96) DGAT1KMT2APARP15PARP10CYP2C19
SCHEMBL30549425 0.69 DGAT1 (0.53) DGAT1TDP1MAPK1PARP15PARP10

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 DGAT1 1057/4885SNCA 555/4885GPR52 1197/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DGAT1 1057/4885SNCA 555/4885GPR52 1197/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DGAT1 1057/4885SNCA 555/4885GPR52 1197/4885

“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.