SCHEMBL1490197

SCHEMBL1490197

O=C(Nc1csc(-c2ccccc2)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
RAB9A P51151 5/20 0.62
NLRP3 Q96P20 1/20 0.62
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KDM4E B2RXH2 4/20 0.49
HDAC2 Q92769 1/20 0.49
HTT P42858 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL1490520 0.89 MEN1 (0.49) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490393 0.89 MEN1 (0.49) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490568 0.89 MEN1 (0.49) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490525 0.89 MEN1 (0.64) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490614 0.88 MEN1 (0.48) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490373 0.87 KMT2A (0.52) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL15477192 0.86 MEN1 (0.51) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL12831294 0.86 MEN1 (0.52) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490258 0.84 MEN1 (0.53) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL1490529 0.84 MEN1 (0.53) MEN1KMT2ARAB9ANLRP3ALDH1A1

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 2958/4885KMT2A 4706/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 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.