SCHEMBL15426707

SCHEMBL15426707

[N-]=[N+]=NCc1ccnc(CN)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 11/20 0.38
▸ LOX P28300 4/20 0.38
▸ LOXL3 P58215 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL15409505 0.87 KDM4E (0.41) KDM4EALDH1A1S1PR1
SCHEMBL28799681 0.77 RECQL (0.52) LOXL2LOXLOXL3KDM4EALDH1A1
SCHEMBL17832058 0.76 NOS3 (0.46) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL20339346 0.75 HSD17B10 (0.43) KDM4ENOS3NOS1NOS2
SCHEMBL29370384 0.75 HSD17B10 (0.43) KDM4ENOS3NOS1NOS2
SCHEMBL4107151 0.75 LOXL2 (0.61) LOXL2LOXLOXL3NOS3NOS1
SCHEMBL18012380 0.75 HDAC3 (0.33) KDM4EALDH1A1
SCHEMBL18986772 0.74 PDE4A (0.33) LOXL2LOXLOXL3
SCHEMBL21594253 0.73 LOXL2 (0.56) LOXL2LOX
SCHEMBL22264270 0.73 LOXL2 (0.56) LOXL2LOXS1PR1

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-8871940-B2 Unsymmetrical bisazides for chemoselective sequential ligation The Florida State University Research Foundation, Inc. (US) 2014-10-28 — — US disclosed
US-20140018541-A1 UMSYMMETRICAL BISAZIDES FOR CHEMOSELECTIVE SEQUENTIAL LIGATION The Florida State University Research Foundation, Inc. (US) 2014-01-16 — — 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-20140018541-A1 UMSYMMETRICAL BISAZIDES FOR CHEMOSELECTIVE SEQUENTIAL LIGATION UTS2R, UMPS, UGP2 LOXL2 1383/4885LOX 1660/4885LOXL3 1566/4885

“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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