SCHEMBL12829853

SCHEMBL12829853

O=C(Nc1cccc(F)c1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 3/20 0.47
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ TRPV1 Q8NER1 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.42
▸ PRKD3 O94806 1/20 0.42

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
SCHEMBL12830430 0.84 MAPT (0.53) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1490367 0.83 MEN1 (0.50) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL12831003 0.83 ROCK2 (0.48) KDM4ERAB9ALMNAALDH1A1MAPK1
SCHEMBL1892623 0.80 CASP3 (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12830156 0.79 TRPM2 (0.48) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL1490660 0.79 HCAR2 (0.48) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12830932 0.76 ANO1 (0.43) MEN1KMT2ARAB9ANPC1
SCHEMBL1490673 0.76 ANO1 (0.45) MEN1KMT2AKDM4ERAB9ALMNA
SCHEMBL1490568 0.76 MEN1 (0.49) MEN1KMT2AMAPTRAB9ALMNA
SCHEMBL1490517 0.75 ANO1 (0.47) KMT2AKDM4ERAB9ANPC1

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 3 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
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 GRIK1 780/4885MEN1 2958/4885KMT2A 4706/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRIK1 780/4885MEN1 2958/4885KMT2A 4706/4885

“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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