SCHEMBL15440962

SCHEMBL15440962

O=S(=O)(O)c1ncc[nH]1.[N-]=[N+]=N

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
TXNRD1 Q16881 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL329285 0.88
SCHEMBL30821606 0.88 L3MBTL1 (0.38) L3MBTL1TXNRD1ALDH1A1SMN1; SMN2
SCHEMBL28284121 0.86 L3MBTL1 (0.37) L3MBTL1TXNRD1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL27594552 0.86 L3MBTL1 (0.37) L3MBTL1TXNRD1ALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28075036 0.86 L3MBTL1 (0.37) L3MBTL1TXNRD1ALDH1A1SMN1; SMN2
Biphenyl SCHEMBL27540404 0.76 MTOR (0.48) L3MBTL1ALDH1A1SMN1; SMN2
Acrylic Acid SCHEMBL28248820 0.75 LMNA (0.34) L3MBTL1TXNRD1ALDH1A1
SCHEMBL8408066 0.74 ALDH1A1 (0.32) TXNRD1ALDH1A1SMN1; SMN2
Toluene SCHEMBL28778070 0.74 NPC1 (0.41) L3MBTL1TXNRD1ALDH1A1SMN1; SMN2
Benzil SCHEMBL28006897 0.73 CES2 (0.45) L3MBTL1ALDH1A1SMN1; 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-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2018-08-28 US disclosed
US-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-01-30 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-20140030191-A1 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF CYP3A43, NAT1, UGT1A1 L3MBTL1 4758/4885TXNRD1 2488/4885ALDH1A1 258/4885
US-10059704-B2 1,4-disubstituted 1,2,3-triazoles, methods for preparing same, and diagnostic and therapeutic uses thereof CYP3A43, NAT1, UGT1A1 L3MBTL1 4758/4885TXNRD1 2488/4885ALDH1A1 258/4885

“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.