SCHEMBL1490529

SCHEMBL1490529

O=C(Nc1csc(-c2ccccc2Br)c1C(=O)O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
RAB9A P51151 4/20 0.53
NLRP3 Q96P20 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HDAC2 Q92769 1/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1490505 0.91 KMT2A (0.46) MEN1KMT2ARAB9ANLRP3NPC1
SCHEMBL1490371 0.88 KMT2A (0.47) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL1490627 0.88 MEN1 (0.49) MEN1KMT2ARAB9AL3MBTL1NPC1
SCHEMBL1490258 0.86 MEN1 (0.53) MEN1KMT2ARAB9ANLRP3L3MBTL1
SCHEMBL1490197 0.84 MEN1 (0.62) MEN1KMT2ARAB9ANLRP3L3MBTL1
SCHEMBL12831294 0.81 MEN1 (0.52) MEN1KMT2ARAB9ANLRP3L3MBTL1
SCHEMBL1490568 0.81 MEN1 (0.49) MEN1KMT2ARAB9ANLRP3L3MBTL1
SCHEMBL1490618 0.81 CASP3 (0.54) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL12756504 0.80 MEN1 (0.49) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL3630189 0.80 MEN1 (0.74) MEN1KMT2ARAB9ANLRP3L3MBTL1

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.