SCHEMBL21401905

SCHEMBL21401905

N=C(N)NCCC[C@H]1NC(=O)[C@@H](CCCCNC(=O)C(N)CCC(O)NCCCC[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](CCCNC(=N)N)NC2=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.50
▸ MC5R P33032 9/20 0.50
▸ MC3R P41968 9/20 0.50
▸ MC1R Q01726 9/20 0.50
▸ ITGB3 P05106 10/20 0.49
▸ ITGAV P06756 6/20 0.49
▸ ITGB1 P05556 2/20 0.49
▸ ITGA5 P08648 2/20 0.49
▸ ITGB5 P18084 3/20 0.49
▸ CTSG P08311 1/20 0.48
▸ ITGA2B P08514 4/20 0.47

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
SCHEMBL22872747 0.91 ITGB3 (0.51) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22970321 0.90 ITGB3 (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7743670 0.90 ITGB3 (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19981446 0.90 ITGB3 (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7744260 0.90 ITGB3 (0.56) MC4RMC5RMC3RMC1RITGB3
SCHEMBL24285403 0.89 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22807688 0.89 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL20754200 0.89 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22758169 0.89 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21766911 0.86 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3

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-10633542-B2 Azacyanine dyes and use thereof Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2020-04-28 — — US disclosed
US-20190292371-A1 AZACYANINE DYES AND USE THEREOF INTRACE MEDICAL SA (CH) 2019-09-26 — — 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-20190292371-A1 AZACYANINE DYES AND USE THEREOF INMT, AZI2, MYADM MC4R 1177/4885MC5R 228/4885MC3R 564/4885
US-10633542-B2 Azacyanine dyes and use thereof INMT, AZI2, MYADM MC4R 1177/4885MC5R 228/4885MC3R 564/4885

“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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