SCHEMBL24252517

SCHEMBL24252517

N#Cc1cncc(COc2cc([N+](=O)[O-])ccc2C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
KDR P35968 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PDCD1 Q15116 7/20 0.41
CD274 Q9NZQ7 7/20 0.41
RAD51 Q06609 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.36

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
SCHEMBL31499181 0.85 PDCD1 (0.47) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL24252986 0.85 PDCD1 (0.47) CYP19A1CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL20911400 0.83 PDCD1 (0.43) PDCD1CD274
SCHEMBL24253043 0.83 CD274 (0.43) CYP19A1CYP11B1CYP11B2PDCD1CD274
SCHEMBL24253020 0.82 CD274 (0.44) CYP11B1CYP11B2PDCD1CD274
SCHEMBL20911501 0.82 CD274 (0.42) PDCD1CD274
SCHEMBL24252547 0.82 CD274 (0.46) PDCD1CD274
SCHEMBL24252580 0.81 CD274 (0.42) MAPTALDH1A1PDCD1CD274
SCHEMBL4701157 0.77 MAPT (0.59) CYP19A1CYP11B1CYP11B2KDRMAPT
SCHEMBL25701719 0.76 CCR5 (0.47) MAPTALDH1A1PDCD1CD274LMNA

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 CYP19A1 755/4885CYP11B1 188/4885CYP11B2 330/4885

“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.