SCHEMBL10201540

SCHEMBL10201540

Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
STIM1 Q13586 4/20 0.44
ORAI1 Q96D31 4/20 0.44

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
SCHEMBL10256646 0.91 HDAC3 (0.45) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL10201541 0.90 POLB (0.50) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL10201524 0.90 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10201214 0.88 HDAC3 (0.50) MAPTSMN1; SMN2HTTHDAC3HDAC4
SCHEMBL10201250 0.88 SMN1; SMN2 (0.45) MAPTSMN1; SMN2HTTRAB9AKDM4E
SCHEMBL10201213 0.88 SMN1; SMN2 (0.45) MAPTSMN1; SMN2HTTRAB9AKDM4E
SCHEMBL10201188 0.86 MAPT (0.52) MAPTSMN1; SMN2HTTRAB9AKDM4E
SCHEMBL10201220 0.86 HDAC3 (0.47) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL10262741 0.81 HDAC3 (0.48) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL10201219 0.80 HDAC3 (0.47) MAPTHDAC3HDAC4HDAC1HDAC7

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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885SMN1; SMN2 854/4885HTT 809/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885SMN1; SMN2 854/4885HTT 809/4885

“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.