SCHEMBL24253063

SCHEMBL24253063

Cc1cc(C=O)c(O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.50
XDH P47989 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GPR35 Q9HC97 2/20 0.44
SNCA P37840 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL2924691 0.93 ERN1 (0.50) ERN1XDHALDH5A1ABATALDH1A1
SCHEMBL15686380 0.86 ALDH1A1 (0.53) ERN1XDHALDH5A1ABATALDH1A1
SCHEMBL16838210 0.85 ERN1 (0.56) ERN1XDHALDH5A1ABATALDH1A1
SCHEMBL1808550 0.83 ALDH1A1 (0.49) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL16838200 0.83 ERN1 (0.55) ERN1XDHALDH5A1ABATALDH1A1
SCHEMBL9910897 0.83 CYP3A4 (0.58) ERN1ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL29510944 0.81 SNCA (0.55) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL7937707 0.81 SNCA (0.55) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL2488195 0.80 ERN1 (0.51) ERN1XDHALDH5A1ABATALDH1A1
SCHEMBL1607530 0.79 ERN1 (0.55) ERN1XDHALDH5A1ABATALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 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-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 ERN1 4420/4885XDH 1346/4885ALDH5A1 167/4885

“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.