SCHEMBL7956142

SCHEMBL7956142

Cc1nn(-c2ccccc2)c(C)c1-c1csc(NC(=O)c2cccc(F)c2)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
RAB9A P51151 3/20 0.48
NLRP3 Q96P20 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 3/20 0.47
GRM5 P41594 1/20 0.47
NPC1 O15118 3/20 0.46
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12414135 0.91 CASP3 (0.58) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL15480690 0.84 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL2182088 0.80 LMNA (0.47) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL12414168 0.79 KDM4E (0.44) MEN1KMT2ARAB9ANLRP3ALDH1A1
SCHEMBL2182245 0.77 CASP3 (0.50) SMN1; SMN2MEN1KMT2ARAB9ANLRP3
SCHEMBL2183812 0.77 SMN1; SMN2 (0.61) SMN1; SMN2MEN1KMT2ARAB9ANLRP3
SCHEMBL2181129 0.77 CASP3 (0.53) SMN1; SMN2MEN1KMT2ARAB9ANLRP3
SCHEMBL3629752 0.76 MEN1 (0.76) SMN1; SMN2MEN1KMT2ARAB9ANLRP3
SCHEMBL7955577 0.76 MEN1 (0.47) SMN1; SMN2MEN1KMT2ARAB9ANLRP3
SCHEMBL3631230 0.76 CASP3 (0.54) SMN1; SMN2MEN1KMT2ARAB9ANLRP3

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 2 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
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 SMN1; SMN2 854/4885MEN1 2958/4885KMT2A 4706/4885

“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.