SCHEMBL7955577

SCHEMBL7955577

CCn1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
RAB9A P51151 3/20 0.47
NLRP3 Q96P20 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
NTRK1 P04629 1/20 0.43
GRM5 P41594 1/20 0.42
GRIN2C Q14957 1/20 0.41

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
SCHEMBL14692940 0.90 CASP3 (0.59) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL12831292 0.83 SMN1; SMN2 (0.46) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL2182642 0.77 ANO1 (0.53) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL2182245 0.77 CASP3 (0.50) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL2183812 0.76 SMN1; SMN2 (0.61) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL2181129 0.76 CASP3 (0.53) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL7956142 0.76 SMN1; SMN2 (0.51) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL3629752 0.76 MEN1 (0.76) MEN1KMT2ARAB9ANLRP3CASP3
SCHEMBL7959538 0.76 RAB9A (0.43) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL27815380 0.75 MEN1 (0.61) MEN1KMT2ARAB9ANLRP3CASP3

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 MEN1 2958/4885KMT2A 4706/4885RAB9A 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.