SCHEMBL10201240

SCHEMBL10201240

CC(C)n1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.40
HTT P42858 1/20 0.40
P2RY1 P47900 2/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
HDAC3 O15379 1/20 0.39

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
SCHEMBL10201238 0.92 STIM1 (0.42) KLKB1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL10201242 0.92 KLKB1 (0.44) KLKB1LMNAKDM4ESMN1; SMN2NPSR1
SCHEMBL10201237 0.89 CRACR2A (0.42) KDM4ERAB9AP2RY1STIM1ORAI1
SCHEMBL10201250 0.89 SMN1; SMN2 (0.45) KLKB1LMNAKDM4ESMN1; SMN2NPSR1
SCHEMBL10201214 0.87 HDAC3 (0.50) KLKB1LMNAKDM4ESMN1; SMN2NPSR1
SCHEMBL10201234 0.84 STIM1 (0.48) KLKB1LMNAKDM4ESMN1; SMN2NPSR1
SCHEMBL10201239 0.81 STIM1 (0.42) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL10201241 0.81 CRACR2A (0.40) KLKB1KDM4ERAB9AP2RY1STIM1
SCHEMBL10262741 0.79 HDAC3 (0.48) LMNAKDM4ENPC1RAB9AMAPT
SCHEMBL10201246 0.79 POLB (0.43) LMNASMN1; SMN2NPSR1MAPTP2RY1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
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
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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KLKB1 4677/4885LMNA 1306/4885KDM4E 4057/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KLKB1 4677/4885LMNA 1306/4885KDM4E 4057/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KLKB1 4677/4885LMNA 1306/4885KDM4E 4057/4885

“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.