SCHEMBL12831006

SCHEMBL12831006

O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ HPGD P15428 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ ANO1 Q5XXA6 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ SMO Q99835 3/20 0.44
▸ ABL1 P00519 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ NOD1 Q9Y239 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
SCHEMBL12831005 0.91 MEN1 (0.55) MEN1KMT2AHPGDCYP1A2CYP2C19
SCHEMBL12756894 0.88 MEN1 (0.65) MEN1KMT2AHPGDCYP1A2CYP2C19
SCHEMBL12831284 0.86 ANO1 (0.56) ANO1RAB9A
SCHEMBL1490642 0.86 KMT2A (0.53) MEN1KMT2AANO1RAB9ATP53
SCHEMBL12756881 0.85 PPARG (0.49) MEN1KMT2ACYP1A2CYP2C19ANO1
SCHEMBL1490517 0.84 ANO1 (0.47) KMT2AHPGDANO1RAB9A
SCHEMBL12756880 0.84 HDAC2 (0.55) MEN1KMT2AMAPTRAB9ATP53
SCHEMBL1490556 0.81 MEN1 (0.54) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL1490583 0.81 MEN1 (0.49) MEN1KMT2AHPGDANO1ALDH1A1
SCHEMBL1490223 0.81 MEN1 (0.49) MEN1KMT2AHPGDANO1ALDH1A1

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 MEN1 2958/4885KMT2A 4706/4885HPGD 1883/4885

“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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