SCHEMBL24252986

SCHEMBL24252986

N#Cc1cccc(COc2cc([N+](=O)[O-])ccc2C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.47
CD274 Q9NZQ7 2/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP19A1 P11511 3/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR5 P51681 1/20 0.41
RAD51 Q06609 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 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
SCHEMBL31499181 1.00 PDCD1 (0.47) PDCD1CD274KCNJ1KCNH2MRGPRX4
SCHEMBL24252517 0.85 CYP19A1 (0.42) PDCD1CD274ALDH1A1MAPTLMNA
SCHEMBL4701157 0.83 MAPT (0.59) ALDH1A1MAPTLMNACYP19A1CYP11B1
SCHEMBL12835343 0.81 MRGPRX4 (0.67) PDCD1CD274KCNJ1KCNH2MRGPRX4
SCHEMBL24252509 0.81 HTR1A (0.46) PDCD1CD274KCNJ1KCNH2MRGPRX4
SCHEMBL24253009 0.81 MRGPRX4 (0.50) PDCD1CD274MRGPRX4CCR5MAOA
SCHEMBL31499182 0.81 MRGPRX4 (0.50) PDCD1CD274MRGPRX4CCR5MAOA
SCHEMBL5490905 0.77 ALDH1A1 (0.65) ALDH1A1MAPTLMNAPKMRXFP1
SCHEMBL20819313 0.76 KCNJ1 (0.52) KCNJ1KCNH2MRGPRX4ALDH1A1LMNA
SCHEMBL3932203 0.76 MAOB (0.54) PDCD1CD274MRGPRX4MAPTCYP11B1

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 PDCD1 2/4885CD274 1/4885KCNJ1 2570/4885

“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.