SCHEMBL24253057

SCHEMBL24253057

Cc1cc(C=O)c(OCc2cccnc2)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
CGAS Q8N884 3/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MAPK1 P28482 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
IKBKB O14920 1/20 0.40
HTR6 P50406 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL28480576 0.85 HSD17B10 (0.44) HSD17B10CGASLMNAALDH1A1MAPT
SCHEMBL24252546 0.84 MAPT (0.53) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL29538704 0.81 LRRK2 (0.50) HSD17B10LMNAALDH1A1MAPTHPGD
SCHEMBL4939377 0.81 LRRK2 (0.50) HSD17B10LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL31056124 0.79 MAPT (0.50) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL24253087 0.78 CD274 (0.44) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL15065527 0.77 HTR1A (0.55) HSD17B10LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL15065405 0.77 LMNA (0.46) HSD17B10CGASLMNAALDH1A1MAPT
SCHEMBL29477092 0.77 HTR1A (0.55) HSD17B10LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL24253040 0.76 PDCD1 (0.55) LMNAALDH1A1MAPTHPGDSMN1; SMN2

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 HSD17B10 2166/4885CGAS 2198/4885LMNA 2409/4885

“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.