SCHEMBL25844894

SCHEMBL25844894

N#Cc1cc(CCl)c2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
HTR2A P28223 1/20 0.31
PDE5A O76074 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
EPHB4 P54760 2/20 0.30

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
SCHEMBL1171848 0.75 XDH (0.44) XDHSLC22A12MAPTSMN1; SMN2ALDH1A1
SCHEMBL20906135 0.75 XDH (0.44) XDHSLC22A12MAPTSMN1; SMN2ALDH1A1
SCHEMBL25844870 0.74 MAOB (0.34) SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL25844872 0.73 ALDH1A1 (0.36) HTR2ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25844890 0.72 MAOB (0.34) ALDH1A1CYP3A4
SCHEMBL523983 0.71 ALDH1A1 (0.53) XDHSLC22A12HTR2AMAPTSMN1; SMN2
SCHEMBL7773643 0.68 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1MEN1TSHRKMT2A
SCHEMBL140150 0.66 MAPT (0.51) PDE5AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL30300332 0.66 MAPT (0.51) PDE5AMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL10534417 0.66 CYP3A4 (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 EP 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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 XDH 334/4885SLC22A12 910/4885HTR2A 605/4885

“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.