SCHEMBL10201493

SCHEMBL10201493

Cc1ccccc1C(=O)Nc1ncc(Br)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.58
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
TP53 P04637 2/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 2/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CDK5 Q00535 1/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
STAT3 P40763 1/20 0.51

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
SCHEMBL3175859 0.88 STAT3 (0.67) FBP1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14455124 0.85 FBP1 (0.50) FBP1RAB9ANPC1MAPK1ALDH1A1
SCHEMBL24072351 0.85 RAB9A (0.65) RAB9ANPC1TP53MAPK1ALDH1A1
SCHEMBL30142720 0.85 RAB9A (0.65) RAB9ANPC1TP53MAPK1ALDH1A1
SCHEMBL13524040 0.84 STAT3 (0.64) FBP1RAB9ANPC1TP53ALDH1A1
SCHEMBL24074132 0.83 ALDH1A1 (0.54) RAB9ANPC1TP53MAPK1ALDH1A1
SCHEMBL24074488 0.83 NPC1 (0.58) FBP1RAB9ANPC1TP53MAPK1
SCHEMBL722948 0.83 CCNE1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL25143170 0.83 RAB9A (0.57) RAB9ANPC1TP53MAPK1ALDH1A1
SCHEMBL25143151 0.83 RAB9A (0.54) RAB9ANPC1TP53MAPK1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 FBP1 2852/4885RAB9A 1174/4885NPC1 262/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 FBP1 2852/4885RAB9A 1174/4885NPC1 262/4885

“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.