SCHEMBL1490595

SCHEMBL1490595

O=C(Nc1csc(-c2ccc(Cl)cc2Cl)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
RAB9A P51151 4/20 0.46
NLRP3 Q96P20 1/20 0.46
KDM4E B2RXH2 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL15477192 0.94 MEN1 (0.51) KCNMA1SMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL1490227 0.93 MEN1 (0.49) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL1490605 0.90 KDM4E (0.45) SMN1; SMN2MEN1KMT2ARAB9AKDM4E
SCHEMBL12756883 0.89 MAPT (0.48) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL12831286 0.89 MAPT (0.45) MEN1KMT2ARAB9AKDM4ENPSR1
SCHEMBL1490422 0.88 L3MBTL1 (0.46) KCNMA1SMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL12831285 0.88 CA12 (0.43) SMN1; SMN2MEN1KMT2ARAB9AKDM4E
SCHEMBL12830938 0.87 KDM4E (0.45) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL1490258 0.86 MEN1 (0.53) KCNMA1SMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL12831062 0.86 ALDH1A1 (0.61) SMN1; SMN2LMNAMEN1KMT2ARAB9A

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 KCNMA1 91/4885SMN1; SMN2 854/4885LMNA 1306/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KCNMA1 91/4885SMN1; SMN2 854/4885LMNA 1306/4885

“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.