SCHEMBL23489611

SCHEMBL23489611

O=C(CNC(=O)c1cccc(NC2=NCCCN2)c1)NCCNC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 18/20 0.57
▸ ITGAV P06756 18/20 0.57
▸ ITGB6 P18564 7/20 0.57
▸ ITGB1 P05556 9/20 0.50
▸ ITGA2B P08514 9/20 0.50
▸ ITGB5 P18084 7/20 0.50
▸ ITGA5 P08648 3/20 0.48
▸ ITGB8 P26012 1/20 0.48
▸ ITGA8 P53708 1/20 0.48

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
SCHEMBL23455311 0.88 ITGB1 (0.61) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL23489508 0.88 ITGB1 (0.61) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL23518372 0.88 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL23489345 0.86 ITGB1 (0.55) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL23455402 0.86 ITGB1 (0.55) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL23518208 0.85 ITGB1 (0.64) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23518473 0.85 ITGB1 (0.49) ITGB3ITGAVITGB6ITGB1ITGB5
SCHEMBL23518379 0.84 ITGB1 (0.46) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23489521 0.82 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA2B
SCHEMBL30073964 0.82 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA2B

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 3 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
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 — — WO 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 ITGB3 957/4885ITGAV 1756/4885ITGB6 1013/4885
US-11530180-B2 Alpha-5 beta-1 inhibitors SCN5A, PSMA5, API5 ITGB3 957/4885ITGAV 1756/4885ITGB6 1013/4885

“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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