SCHEMBL16019781

SCHEMBL16019781

Cc1ocnc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ GRM1 Q13255 8/20 0.49
▸ GRM4 Q14833 6/20 0.48
▸ STIM1 Q13586 3/20 0.46
▸ ORAI1 Q96D31 3/20 0.46
▸ ORAI2 Q96SN7 1/20 0.46
▸ NAMPT P43490 1/20 0.44
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLQ O75417 1/20 0.39
▸ IL2 P60568 1/20 0.38

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
SCHEMBL16019820 0.90 KDM4E (0.54) KDM4ENPC1RAB9AGRM1GRM4
SCHEMBL16020545 0.89 STIM1 (0.52) KDM4ENPC1RAB9AGRM1GRM4
SCHEMBL16019776 0.86 ALDH1A1 (0.56) KDM4ENPC1RAB9ASTIM1ORAI1
SCHEMBL14887335 0.84 BACE1 (0.42) KDM4ENPC1RAB9ASTIM1ORAI1
SCHEMBL16019778 0.84 GRM1 (0.49) KDM4ENPC1RAB9AGRM1GRM4
SCHEMBL14887346 0.84 SMN1; SMN2 (0.44) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL14885567 0.81 STIM1 (0.66) KDM4ENPC1RAB9AGRM1GRM4
SCHEMBL16017229 0.80 NPC1 (0.47) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16017213 0.80 GRM1 (0.48) KDM4ENPC1RAB9AGRM1GRM4
SCHEMBL16019798 0.79 DGAT1 (0.46) STIM1ORAI1ORAI2ALDH1A1IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — 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 (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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885NPC1 262/4885RAB9A 1174/4885

“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.

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