SCHEMBL15410730

SCHEMBL15410730

[N-]=[N+]=NCc1ccc(-c2ccc(CN=[N+]=[N-])nc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CRBN Q96SW2 1/20 0.32
▸ MCHR1 Q99705 1/20 0.31
▸ PPARG P37231 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
SCHEMBL15409988 0.86 KDM4E (0.37) S1PR1KDM4EALDH1A1TLR8TLR7
SCHEMBL15233019 0.82 HDAC1 (0.41) S1PR1TLR8TLR7HDAC3HDAC1
SCHEMBL14948664 0.78 HRH3 (0.43) KDM4EALDH1A1TLR8TLR7HDAC3
SCHEMBL17080226 0.76 ATM (0.41) S1PR1HDAC3HDAC1HDAC2HDAC8
SCHEMBL14189703 0.75 HDAC3 (0.45) S1PR1KDM4EALDH1A1TLR8TLR7
SCHEMBL16560329 0.75 CCR1 (0.40) KDM4EALDH1A1HDAC6
SCHEMBL14449087 0.75 HDAC3 (0.37) KDM4EALDH1A1TLR8TLR7HDAC3
SCHEMBL16639002 0.74 TAAR1 (0.45) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL14945527 0.74 ESR1 (0.34) KDM4EALDH1A1TLR8TLR7
SCHEMBL13878887 0.74 HTR2C (0.37) KDM4EALDH1A1

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 6 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-8871940-B2 Unsymmetrical bisazides for chemoselective sequential ligation The Florida State University Research Foundation, Inc. (US) 2014-10-28 — — US disclosed
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
US-20140018541-A1 UMSYMMETRICAL BISAZIDES FOR CHEMOSELECTIVE SEQUENTIAL LIGATION The Florida State University Research Foundation, Inc. (US) 2014-01-16 — — 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 S1PR1 2608/4885KDM4E 2732/4885ALDH1A1 414/4885

“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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