SCHEMBL12830430

SCHEMBL12830430

CCc1cccc(NC(=O)Nc2csc(-c3ccc(Br)cc3)c2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MEN1 O00255 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ GRK2 P25098 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ IDH2 P48735 1/20 0.44
▸ KDR P35968 7/20 0.44
▸ PDGFRB P09619 3/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43

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
SCHEMBL12829853 0.84 GRIK1 (0.47) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL1954023 0.82 CASP3 (0.57) MAPTTP53MEN1RAB9AKMT2A
SCHEMBL12756633 0.79 ROCK2 (0.48) TP53MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12756641 0.78 IDO1 (0.50) TP53MEN1KMT2AGAAPOLB
SCHEMBL12831003 0.77 ROCK2 (0.48) RAB9APOLBALDH1A1
SCHEMBL12756671 0.76 MEN1 (0.58) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12831064 0.75 CASP3 (0.55) MAPTTP53MEN1RAB9AKMT2A
SCHEMBL15479106 0.75 HCAR2 (0.48) MAPTTP53MEN1RAB9AKMT2A
SCHEMBL1490744 0.74 HDAC2 (0.47) MAPTMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12756642 0.74 HDAC3 (0.50) TP53MEN1RAB9AKMT2ASMN1; SMN2

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 MAPT 1478/4885TP53 2681/4885MEN1 2958/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885TP53 2681/4885MEN1 2958/4885

“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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