SCHEMBL23909417

SCHEMBL23909417

O=Cc1cc(CCc2ccccc2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.49
HTT P42858 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
LTA4H P09960 1/20 0.38
KCNH2 Q12809 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCB1 P08183 1/20 0.37
DAO P14920 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL13754943 0.82 NR3C2 (0.50) NR3C2HTTKDM5AKDM5BKDM4E
SCHEMBL7089255 0.80 NOS2 (0.36) NR3C2HTTKDM5AKDM5BKDM4E
SCHEMBL16502197 0.79 NR3C2 (0.51) NR3C2MAOAMAOBKDM5AKDM5B
SCHEMBL7092679 0.77 SKP2 (0.39) HTTKDM4E
SCHEMBL21645886 0.76 CDK1 (0.40) NR3C2KDM4E
SCHEMBL15724953 0.76 CDK5 (0.32)
SCHEMBL764017 0.76 RECQL (0.52) MAOA
SCHEMBL29026954 0.76 LOXL2 (0.52) ROCK1
SCHEMBL29935916 0.76 RECQL (0.52) MAOA
SCHEMBL6642166 0.76 NOS3 (0.52) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12065409-B2 Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2024-08-20 US disclosed
US-20210317084-A1 Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-10-14 US 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 (2 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-20210317084-A1 Analogs of 2-Pralidoxime as Antidotes Against Organophosphorus Nerve Agents ACHE, DDT, BCHE NR3C2 4535/4885HTT 4122/4885MAOA 351/4885
US-12065409-B2 Analogs of 2-pralidoxime as antidotes against organophosphorus nerve agents ACHE, DDT, BCHE NR3C2 4535/4885HTT 4122/4885MAOA 351/4885

“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.