SCHEMBL7747580

SCHEMBL7747580

N=C(N)N/N=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
GAA P10253 2/20 0.74
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 10/20 0.57
RAB9A P51151 10/20 0.57
MAPT P10636 5/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.53
THRB P10828 1/20 0.52

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
SCHEMBL7747583 1.00 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AGAASMN1; SMN2
Acetic Acid SCHEMBL21519394 0.93 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL19449620 0.88 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL7747084 0.87 MEN1 (0.58) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL7747086 0.87 MEN1 (0.58) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL30423425 0.87 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL31058805 0.87 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL17560906 0.87 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1206598 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL1206597 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AGAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 US disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR ALDH1A1 1048/4885MEN1 4058/4885KMT2A 3083/4885

“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.