SCHEMBL10201250

SCHEMBL10201250

CC(C)n1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.42
KLKB1 P03952 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
P2RY1 P47900 2/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.37
GAA P10253 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
SCHEMBL10201246 0.90 POLB (0.43) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL10201255 0.90 CRACR2A (0.39) SMN1; SMN2HTTLMNAP2RY1KDM4E
SCHEMBL10201240 0.89 KLKB1 (0.44) SMN1; SMN2MAPTHTTLMNAKLKB1
SCHEMBL10201540 0.88 MAPT (0.47) SMN1; SMN2MAPTHTTLMNAKLKB1
SCHEMBL10201242 0.86 KLKB1 (0.44) SMN1; SMN2MAPTHTTLMNAKLKB1
SCHEMBL10201213 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTLMNAKLKB1
SCHEMBL10201238 0.81 STIM1 (0.42) SMN1; SMN2MAPTKLKB1KMT2AP2RY1
SCHEMBL10256646 0.79 HDAC3 (0.45) SMN1; SMN2MAPTHTTLMNAKMT2A
SCHEMBL10201237 0.79 CRACR2A (0.42) P2RY1KDM4ERAB9AALDH1A1
SCHEMBL10201541 0.79 POLB (0.50) MAPTLMNAKMT2AMEN1KDM4E

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 SMN1; SMN2 854/4885MAPT 1478/4885HTT 809/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885HTT 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.