SCHEMBL22509405

SCHEMBL22509405

COc1c#cc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.43
▸ ABCC1 P33527 2/20 0.38
▸ POLQ O75417 1/20 0.38
▸ NPC1 O15118 10/20 0.38
▸ RAB9A P51151 10/20 0.38
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MITF O75030 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ TP53 P04637 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ PIK3CD O00329 1/20 0.34

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
SCHEMBL12156252 0.83 ABCB1 (0.53) ABCB1ABCC1NPC1RAB9AMAPT
SCHEMBL12156211 0.81 RAB9A (0.55) ABCB1ABCC1NPC1RAB9AMAPT
SCHEMBL12155497 0.80 ABL1 (0.43) ABCB1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12155603 0.80 IL2 (0.43) ABCB1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12241418 0.80 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL12155615 0.80 RAB9A (0.48) ABCB1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12241435 0.79 RAB9A (0.47) ABCB1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12156212 0.79 SMN1; SMN2 (0.48) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL12241433 0.79 NPC1 (0.46) ABCB1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12155618 0.79 NPC1 (0.46) ABCB1NPC1RAB9AMAPTSMN1; SMN2

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 ABCB1 1679/4885ABCC1 1380/4885POLQ 4725/4885

“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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