SCHEMBL22509378

SCHEMBL22509378

O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1cc#ccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.50
▸ ORAI1 Q96D31 4/20 0.50
▸ ORAI2 Q96SN7 1/20 0.45
▸ DEGS1 O15121 2/20 0.39
▸ RAB9A P51151 7/20 0.39
▸ NPC1 O15118 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ PTGES O14684 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL12155519 0.84 STIM1 (0.57) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL12156032 0.83 STIM1 (0.51) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL12241547 0.82 RAB9A (0.55) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL17049821 0.82 DEGS1 (0.53) STIM1ORAI1ORAI2DEGS1F10
SCHEMBL12156036 0.82 STIM1 (0.64) STIM1ORAI1ORAI2RAB9ANPC1
SCHEMBL12156035 0.81 STIM1 (0.49) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL17805382 0.81 STIM1 (0.51) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL12155457 0.80 STIM1 (0.60) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL17049614 0.80 STIM1 (0.50) STIM1ORAI1ORAI2DEGS1RAB9A
SCHEMBL12241456 0.80 STIM1 (0.55) STIM1ORAI1ORAI2RAB9ANPC1

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-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — 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-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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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