SCHEMBL22649412

SCHEMBL22649412

CSCCNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ RAB9A P51151 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RPS6KA2 Q15349 1/20 0.37
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL13134034 0.79 CYP1A2 (0.47) CYP1A2RAB9AKDM4EALDH1A1PKM
SCHEMBL30297855 0.78 CYP1A2 (0.46) CYP1A2RAB9AKDM4EALDH1A1PKM
SCHEMBL8873486 0.77 CYP1A2 (0.48) CYP1A2RAB9AKDM4EALDH1A1MAPT
SCHEMBL6520637 0.76 CYP1A2 (0.47) CYP1A2RAB9AKDM4EALDH1A1PKM
SCHEMBL31526985 0.76 CYP1A2 (0.47) CYP1A2RAB9AKDM4EALDH1A1PKM
SCHEMBL11408828 0.76 NTRK1 (0.52) CYP1A2RAB9AKDM4EALDH1A1PKM
SCHEMBL4950343 0.75 ASAH1 (0.56) CYP1A2ALDH1A1
SCHEMBL8227448 0.75 CYP1A2 (0.43) CYP1A2RAB9AKDM4EALDH1A1PKM
SCHEMBL9388552 0.75 MAOB (0.44) CYP1A2RAB9AKDM4EALDH1A1MAPT
SCHEMBL12834808 0.75 CYP1A2 (0.50) CYP1A2RAB9AKDM4EALDH1A1PKM

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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — US disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 — — 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-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP CYP1A2 4534/4885RAB9A 3567/4885KDM4E 4843/4885

“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.

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