SCHEMBL10201322

SCHEMBL10201322

Cn1nc(-c2ccco2)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCLAT1 Q6UWP7 1/20 0.44
▸ WDR5 P61964 1/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ STIM1 Q13586 3/20 0.41
▸ ORAI1 Q96D31 3/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL10201305 0.89 STIM1 (0.53) LCLAT1RAB9ASTIM1ORAI1SMN1; SMN2
SCHEMBL10201309 0.86 STIM1 (0.42) RAB9APOLBSTIM1ORAI1SMN1; SMN2
SCHEMBL10201065 0.84 STIM1 (0.59) LCLAT1WDR5RAB9APOLBMAPT
SCHEMBL16900161 0.83 STIM1 (0.43) LCLAT1STIM1ORAI1KMT2A
SCHEMBL10201318 0.82 STIM1 (0.41) LCLAT1STIM1ORAI1
SCHEMBL10201301 0.82 STIM1 (0.61) RAB9APOLBMAPTTP53RXFP1
SCHEMBL10201307 0.82 STIM1 (0.49) RAB9APOLBSTIM1ORAI1SMN1; SMN2
SCHEMBL12155529 0.81 RAB9A (0.52) LCLAT1WDR5RAB9ATP53SMN1; SMN2
SCHEMBL16900163 0.81 STIM1 (0.48) LCLAT1STIM1ORAI1ALDH1A1KMT2A
SCHEMBL10201324 0.81 ADORA2A (0.38) RAB9APOLBMAPTTP53STIM1

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 7 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

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 LCLAT1 570/4885WDR5 3092/4885RAB9A 1174/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LCLAT1 570/4885WDR5 3092/4885RAB9A 1174/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LCLAT1 570/4885WDR5 3092/4885RAB9A 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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