SCHEMBL12156306

SCHEMBL12156306

O=C(Nc1ccc(-c2cc3c(cc2Cl)CC(F)(F)C3)cn1)c1c(F)cncc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ IL2 P60568 3/20 0.39
▸ STIM1 Q13586 3/20 0.39
▸ ORAI1 Q96D31 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ORAI2 Q96SN7 1/20 0.37
▸ DEGS1 O15121 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ SORT1 Q99523 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
SCHEMBL12156302 0.92 IL2 (0.47) BRD4NPC1RAB9AIL2STIM1
SCHEMBL12156310 0.87 IL2 (0.47) NPC1RAB9AIL2STIM1ORAI1
SCHEMBL16572569 0.87 STIM1 (0.42) BRD4NPC1RAB9AIL2STIM1
SCHEMBL12156316 0.85 STIM1 (0.49) BRD4NPC1RAB9AIL2STIM1
SCHEMBL12156323 0.84 SMN1; SMN2 (0.58) NPC1RAB9ASTIM1ORAI1SMN1; SMN2
SCHEMBL12155600 0.82 STIM1 (0.41) BRD4NPC1RAB9AIL2STIM1
SCHEMBL12155667 0.81 NPC1 (0.48) BRD4NPC1RAB9AIL2STIM1
SCHEMBL12155461 0.81 STIM1 (0.58) BRD4NPC1RAB9AIL2STIM1
SCHEMBL12156321 0.80 ABL1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL12156048 0.80 SMN1; SMN2 (0.52) BRD4NPC1RAB9AIL2STIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — 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 (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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 BRD4 1839/4885NPC1 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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