SCHEMBL24252509

SCHEMBL24252509

COc1cc([N+](=O)[O-])cc(OCc2cccc(C#N)c2)c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
MRGPRX4 Q96LA9 4/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDCD1 Q15116 3/20 0.42
CD274 Q9NZQ7 3/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
HTR6 P50406 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL24252540 0.84 MRGPRX4 (0.47) MRGPRX4PDCD1CD274MAOBHTR6
SCHEMBL31499181 0.81 PDCD1 (0.47) HTR1AADRA1DADRA1AADRA1BMRGPRX4
SCHEMBL24252986 0.81 PDCD1 (0.47) HTR1AADRA1DADRA1AADRA1BMRGPRX4
SCHEMBL9034724 0.75 ALDH1A1 (0.61) MRGPRX4MEN1KMT2APDCD1CD274
SCHEMBL12835343 0.74 MRGPRX4 (0.67) MRGPRX4MEN1KMT2AKCNJ1KCNH2
SCHEMBL20819313 0.74 KCNJ1 (0.52) MRGPRX4MEN1KMT2AKCNJ1KCNH2
SCHEMBL17161357 0.73 PDCD1 (0.66) PDCD1CD274
SCHEMBL8594167 0.73 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL3898871 0.73 MAOB (0.64) MAOBMAOAALDH1A1MAPT
SCHEMBL17687413 0.72 MAOB (0.46) KCNJ1KCNH2MAOBMAOACYP19A1

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 HTR1A 1018/4885ADRA1D 947/4885ADRA1A 576/4885

“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.