SCHEMBL12414403

SCHEMBL12414403

CC(=O)c1c(-c2nc3ccccc3[nH]2)csc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
ALDH1A1 P00352 10/20 0.50
RAB9A P51151 9/20 0.50
SMN1; SMN2 Q16637 9/20 0.50
NPC1 O15118 9/20 0.50
KDM4E B2RXH2 8/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 5/20 0.50
TP53 P04637 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 3/20 0.50
ALOX15 P16050 1/20 0.50
FKBP1A P62942 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46

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
SCHEMBL14692949 0.84 RAB9A (0.45) BRD4ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL12434682 0.73 NPC1 (0.57) RAB9ANPC1KDM4EMAPTPOLB
SCHEMBL26038507 0.71 PRKCZ (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL12414400 0.69 PRKCZ (0.40) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL28539140 0.69 BRD4 (1.00) BRD4SMN1; SMN2CDK1CDK2
SCHEMBL10333237 0.69 NPC1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL227743 0.68 NPC1 (0.78) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL3698974 0.68 RAB9A (0.75) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL30412663 0.68 RAB9A (0.75) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL29424535 0.68 NPC1 (1.00) ALDH1A1RAB9ASMN1; SMN2NPC1KDM4E

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-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 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-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 BRD4 1839/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 BRD4 1839/4885ALDH1A1 4409/4885RAB9A 1174/4885

“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.