SCHEMBL6926754

SCHEMBL6926754

Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4cc3O)c2C(=O)O)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 4/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPY1R P25929 1/20 0.46
HTT P42858 1/20 0.46
NPY2R P49146 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ANO1 Q5XXA6 6/20 0.45
NLRP3 Q96P20 1/20 0.45
ANO2 Q9NQ90 1/20 0.43

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
SCHEMBL14818542 0.90 MEN1 (0.50) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14803603 0.89 MEN1 (0.49) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14803153 0.89 MEN1 (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL6925988 0.87 ANO1 (0.44) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14803113 0.87 MEN1 (0.44) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14818447 0.87 ANO1 (0.53) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14803184 0.87 MEN1 (0.52) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14818480 0.87 ANO1 (0.51) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14803433 0.87 ANO1 (0.53) MEN1KMT2ANPC1RAB9AANO1
SCHEMBL14818558 0.87 MEN1 (0.47) MEN1KMT2ANPC1RAB9AANO1

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-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-03-28 US disclosed
WO-2011109551-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-09-09 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-20130079348-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 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.