SCHEMBL23489292

SCHEMBL23489292

COc1ccc(Nc2cccc(C(=O)NCC(=O)NCCNC(=O)c3c(Cl)cccc3Cl)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 6/20 0.49
▸ BCR P11274 6/20 0.49
▸ ROCK1 Q13464 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ SCN9A Q15858 1/20 0.40

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
SCHEMBL23489403 0.86 ITGB1 (0.41) ABL1BCRROCK1MAPTL3MBTL1
SCHEMBL23455498 0.86 ITGB1 (0.54) ABL1BCRROCK1MAPTSMN1; SMN2
SCHEMBL30000520 0.86 ITGB1 (0.54) ABL1BCRROCK1MAPTSMN1; SMN2
SCHEMBL23455496 0.86 ITGB1 (0.54) ABL1BCRROCK1MAPTSMN1; SMN2
SCHEMBL23455434 0.86 ITGB1 (0.46) ABL1BCRROCK1MAPTL3MBTL1
SCHEMBL23455435 0.86 ITGB1 (0.46) ABL1BCRROCK1MAPTL3MBTL1
SCHEMBL23518428 0.82 ITGB1 (0.39) ABL1BCRROCK1MAPTL3MBTL1
SCHEMBL23518501 0.80 MAPT (0.46) ABL1BCRROCK1MAPTL3MBTL1
SCHEMBL23455528 0.76 MAPT (0.67) ABL1BCRROCK1MAPTTP53
SCHEMBL23518304 0.75 LMNA (0.45) MAPTL3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530180-B2 Alpha-5 beta-1 inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-20 — — US disclosed
US-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-10 — — 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 (2 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-20210171455-A1 ALPHA-5 BETA-1 INHIBITORS SCN5A, PSMA5, API5 ABL1 3190/4885BCR 4495/4885ROCK1 599/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ABL1 3190/4885BCR 4495/4885ROCK1 599/4885

“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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