SCHEMBL7945296

SCHEMBL7945296

O=C(Nc1scc(-c2cnccn2)c1C(=O)O)c1ccnnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 3/20 0.55
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
NLRP3 Q96P20 1/20 0.43
GRIN2C Q14957 4/20 0.42
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PKM P14618 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL12414205 0.90 ANO1 (0.63) ANO1RAB9ALMNAALDH1A1GLA
SCHEMBL12414202 0.89 ANO1 (0.69) ANO1RAB9ALMNAALDH1A1GLA
SCHEMBL15241627 0.85 ANO1 (0.55) ANO1RAB9ALMNAALDH1A1GLA
SCHEMBL2182642 0.82 ANO1 (0.53) ANO1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12414177 0.82 CASP3 (0.63) ANO1RAB9ALMNAALDH1A1GLA
SCHEMBL12830930 0.81 ANO1 (0.39) ANO1LMNAALDH1A1HPGDHCAR2
SCHEMBL1954290 0.79 MEN1 (0.67) ANO1RAB9AMEN1KMT2ANLRP3
SCHEMBL14692945 0.78 ANO1 (0.52) ANO1RAB9ALMNAALDH1A1GLA
SCHEMBL2182520 0.76 ANO1 (0.50) ANO1GRIN2C
SCHEMBL7945300 0.75 ANO1 (0.54) ANO1RAB9ALMNAALDH1A1GLA

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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ANO1 114/4885RAB9A 1174/4885LMNA 1306/4885

“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.