SCHEMBL1490559

SCHEMBL1490559

O=C(Nc1csc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC2 Q92769 2/20 0.46
XPO1 O14980 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 1/20 0.43
GPR35 Q9HC97 2/20 0.43
PTGS1 P23219 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNK2 O95069 2/20 0.41
KCNK10 P57789 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
P2RY14 Q15391 1/20 0.41
ENPP2 Q13822 1/20 0.40

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
SCHEMBL12830925 1.00 MEN1 (0.47) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL1490556 0.92 MEN1 (0.54) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL12756877 0.91 MEN1 (0.48) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL1490614 0.89 MEN1 (0.48) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL1490275 0.88 ANO1 (0.49) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL1490491 0.88 ANO1 (0.49) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL1490568 0.88 MEN1 (0.49) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL1490599 0.87 MEN1 (0.50) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL12756880 0.87 HDAC2 (0.55) MEN1NPC1RAB9AKMT2AHDAC2
SCHEMBL12830895 0.86 ANO1 (0.49) MEN1NPC1RAB9AKMT2AHDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885NPC1 262/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885NPC1 262/4885RAB9A 1174/4885

“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.