SCHEMBL24253040

SCHEMBL24253040

Cc1cc(C=O)c(OCc2cccc(C#N)c2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.55
CD274 Q9NZQ7 1/20 0.55
MRGPRX4 Q96LA9 5/20 0.47
CCR5 P51681 1/20 0.47
HTR6 P50406 2/20 0.45
SLC6A4 P31645 1/20 0.44
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GRM5 P41594 1/20 0.42
SCN8A Q9UQD0 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
SCHEMBL28472232 0.86 PDCD1 (0.60) PDCD1CD274MRGPRX4CCR5HTR6
SCHEMBL24253087 0.83 CD274 (0.44) PDCD1CD274ALDH1A1LMNAMAPT
SCHEMBL24252546 0.82 MAPT (0.53) MAOBALDH1A1LMNAMAPTHPGD
SCHEMBL28617379 0.80 PDCD1 (0.76) PDCD1CD274MRGPRX4
SCHEMBL30336591 0.80 PDCD1 (0.76) PDCD1CD274MRGPRX4
SCHEMBL31056124 0.77 MAPT (0.50) CCR5MAOBALDH1A1LMNAMAPT
SCHEMBL24253009 0.77 MRGPRX4 (0.50) PDCD1CD274MRGPRX4CCR5HTR6
SCHEMBL31499182 0.77 MRGPRX4 (0.50) PDCD1CD274MRGPRX4CCR5HTR6
SCHEMBL29118592 0.77 PDCD1 (0.57) PDCD1CD274
SCHEMBL30577155 0.77 PDCD1 (0.57) PDCD1CD274

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 1/4885MRGPRX4 3340/4885

“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.