SCHEMBL12830932

SCHEMBL12830932

O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc(F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 8/20 0.43
▸ ANO2 Q9NQ90 1/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL1490673 0.91 ANO1 (0.45) ANO1ANO2DHODHMEN1NPC1
SCHEMBL1490517 0.88 ANO1 (0.47) ANO1ANO2NPC1RAB9AKMT2A
SCHEMBL12756913 0.87 RAB9A (0.45) ANO1MEN1NPC1RAB9AKMT2A
SCHEMBL12830929 0.86 ANO1 (0.43) ANO1SIRT5KCNMA1
SCHEMBL12756911 0.85 MEN1 (0.37) ANO1SIRT5MEN1NPC1RAB9A
SCHEMBL1490568 0.83 MEN1 (0.49) MEN1NPC1RAB9AKMT2ACASP3
SCHEMBL1490587 0.83 ANO1 (0.44) ANO1ANO2DHODHMEN1NPC1
SCHEMBL1490367 0.81 MEN1 (0.50) MEN1NPC1RAB9AKMT2ACASP3
SCHEMBL1490642 0.81 KMT2A (0.53) ANO1MEN1NPC1RAB9AKMT2A
SCHEMBL12756912 0.81 NPC1 (0.39) ANO1DHODHMEN1NPC1RAB9A

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 2 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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — 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 (1 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 ANO1 114/4885ANO2 98/4885SIRT5 2762/4885

“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.

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