SCHEMBL10201224

SCHEMBL10201224

Cn1nc(-c2ccccc2)cc1-c1sc(C(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 9/20 0.57
ORAI1 Q96D31 9/20 0.57
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
PHGDH O43175 1/20 0.40
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL10201188 0.91 MAPT (0.52) STIM1ORAI1MAPTRAB9APHGDH
SCHEMBL10201189 0.88 STIM1 (0.63) STIM1ORAI1MAPTRAB9A
SCHEMBL10201524 0.85 HDAC3 (0.46) STIM1ORAI1RAB9AKDM4EALDH1A1
SCHEMBL10201193 0.85 STIM1 (0.60) STIM1ORAI1MAPTRAB9APHGDH
SCHEMBL10201129 0.80 STIM1 (0.85) STIM1ORAI1MAPTRAB9ASMN1; SMN2
SCHEMBL10201191 0.78 MAPT (0.58) STIM1ORAI1MAPTRAB9AKDM4E
SCHEMBL10201247 0.77 STIM1 (0.38) STIM1ORAI1MAPTRAB9AALDH1A1
SCHEMBL10201540 0.77 MAPT (0.47) STIM1ORAI1MAPTRAB9AKDM4E
SCHEMBL10201255 0.76 CRACR2A (0.39) STIM1ORAI1RAB9AKDM4EALDH1A1
SCHEMBL10201208 0.76 STIM1 (0.43) STIM1ORAI1RAB9AKDM4EALDH1A1

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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 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 (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 STIM1 17/4885ORAI1 1/4885MAPT 1478/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MAPT 1478/4885

“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.