SCHEMBL12756330

SCHEMBL12756330

O=C(Nc1csc(-c2ccc(Br)cc2)c1C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ FAAH O00519 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ THRB P10828 1/20 0.38
▸ DUSP1 P28562 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36

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
SCHEMBL12830017 0.90 KDM4E (0.45) MEN1KMT2AFAAHMAPTPOLB
SCHEMBL12756312 0.89 MEN1 (0.45) MEN1KMT2AFAAHMAPTRXFP1
SCHEMBL12829832 0.88 DHODH (0.43) MEN1KMT2AFAAHXDHMAPT
SCHEMBL12756381 0.88 FAAH (0.44) MEN1KMT2AFAAHMAPTPOLB
SCHEMBL12830471 0.87 MAPT (0.48) MEN1KMT2AFAAHXDHMAPT
SCHEMBL12830475 0.87 SRPK1 (0.43) MEN1KMT2AFAAHMAPTRXFP1
SCHEMBL12830448 0.87 FAAH (0.40) MEN1KMT2AFAAHMAPTSMN1; SMN2
SCHEMBL12756317 0.86 DUSP1 (0.41) MEN1KMT2AMAPTRXFP1POLB
SCHEMBL12830945 0.86 TP53 (0.45) MEN1KMT2AMAPTRXFP1POLB
SCHEMBL12756308 0.86 FAAH (0.40) MEN1KMT2AFAAHMAPTPOLB

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-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
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 4706/4885FAAH 1909/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885FAAH 1909/4885

“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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