SCHEMBL10264091

SCHEMBL10264091

Cn1nc(C2=CCCO2)cc1-c1ccc(C(=O)Nc2ccccc2F)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 9/20 0.65
▸ ORAI1 Q96D31 9/20 0.65
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ESR1 P03372 2/20 0.45
▸ ESRRG P62508 2/20 0.45
▸ ESR2 Q92731 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL10201139 0.83 STIM1 (0.70) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10201178 0.83 STIM1 (0.75) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10201150 0.81 STIM1 (0.68) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10201118 0.81 STIM1 (0.67) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10263180 0.79 STIM1 (0.63) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL722456 0.79 STIM1 (1.00) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10201157 0.78 STIM1 (0.79) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10254718 0.76 STIM1 (0.59) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10201194 0.76 STIM1 (0.61) STIM1ORAI1TP53SMN1; SMN2ESR1
SCHEMBL10255283 0.75 STIM1 (0.58) STIM1ORAI1TP53SMN1; SMN2ESR1

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-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 (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-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TP53 2681/4885

“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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