SCHEMBL1490624

SCHEMBL1490624

O=C(Nc1csc(-c2cccc(Cl)c2)c1C(=O)O)c1cc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.53
OPRM1 P35372 3/20 0.46
DHPS P49366 2/20 0.46
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
BCL2L1 Q07817 1/20 0.44
TMIGD3 P0DMS9 3/20 0.43
ADORA1 P30542 3/20 0.43
STAT1 P42224 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 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
SCHEMBL1490541 0.89 HDAC1 (0.55) HDAC1OPRM1DHPSHDAC2HDAC3
SCHEMBL1490639 0.86 HDAC1 (0.46) HDAC1OPRM1DHPSHDAC2HDAC3
SCHEMBL1490487 0.83 HDAC1 (0.53) HDAC1OPRM1DHPSHDAC2HDAC3
SCHEMBL1490499 0.83 HDAC1 (0.55) HDAC1OPRM1DHPSHDAC2HDAC3
SCHEMBL1490284 0.83 HDAC1 (0.55) HDAC1OPRM1DHPSHDAC2HDAC3
SCHEMBL1490492 0.83 HDAC1 (0.55) HDAC1OPRM1DHPSHDAC2HDAC3
SCHEMBL3630330 0.82 ANO1 (0.54) HDAC1OPRM1MEN1ALDH1A1MAPT
SCHEMBL1490426 0.80 HDAC1 (0.52) HDAC1DHPSHDAC2HDAC3HDAC4
SCHEMBL1490485 0.80 SERPINE1 (0.51) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL1490617 0.80 HDAC2 (0.49) HDAC1OPRM1DHPSHDAC2HDAC3

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-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP 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 HDAC1 2696/4885OPRM1 1441/4885DHPS 2859/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC1 2696/4885OPRM1 1441/4885DHPS 2859/4885

“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.