SCHEMBL24252539

SCHEMBL24252539

COc1cc([N+](=O)[O-])cc(O)c1C=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.63
HTT P42858 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 1/20 0.45
PRKDC P78527 1/20 0.45
TYR P14679 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11683169 0.81 ERN1 (0.68) ERN1HTTALDH1A1KDM4EMAPT
SCHEMBL190398 0.78 ERN1 (0.55) ERN1HTTALDH1A1KDM4EMAPT
SCHEMBL29672629 0.77 ERN1 (1.00) ERN1ALDH1A1KDM4EMAPTALOX15
SCHEMBL766081 0.77 ERN1 (1.00) ERN1ALDH1A1KDM4EMAPTALOX15
SCHEMBL4946627 0.77 ERN1 (0.72) ERN1HTTALDH1A1KDM4EMAPT
SCHEMBL11185013 0.76 GPR35 (0.61) ERN1HTTALDH1A1KDM4EMAPT
SCHEMBL29459677 0.75 ERN1 (0.76) ERN1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL1002616 0.75 ERN1 (0.76) ERN1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL829755 0.74 ERN1 (1.00) ERN1ALDH1A1CYP3A4TYRTDP1
SCHEMBL5358719 0.74 ERN1 (0.68) ERN1ALDH1A1KDM4EMAPTCYP3A4

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 4420/4885HTT 3817/4885ALDH1A1 110/4885

“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.