SCHEMBL22649171

SCHEMBL22649171

CC(C)CNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ PKM P14618 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
SCHEMBL28084227 0.85 KMT2A (0.46) CYP1A2TDP1ELANECASP3ALDH1A1
SCHEMBL12834642 0.81 CYP1A2 (0.46) CYP1A2CASP3ALDH1A1MAPTKDM4E
SCHEMBL12834808 0.78 CYP1A2 (0.50) CYP1A2CASP3ALDH1A1MAPTKDM4E
SCHEMBL11535555 0.76 L3MBTL1 (0.40) CYP1A2TDP1ALDH1A1MAPTKDM4E
SCHEMBL28416384 0.75 ALDH1A1 (0.47) CYP1A2ALDH1A1MAPTKDM4ERAB9A
SCHEMBL13134034 0.74 CYP1A2 (0.47) CYP1A2CASP3ALDH1A1MAPTKDM4E
SCHEMBL8129430 0.74 CYP1A2 (0.47) CYP1A2CASP3ALDH1A1MAPTKDM4E
SCHEMBL11529213 0.74 PRMT1 (0.39) TDP1ELANEALDH1A1MAPTKDM4E
SCHEMBL14256476 0.74 CYP1A2 (0.50) CYP1A2TDP1CASP3ALDH1A1MAPT
SCHEMBL30297855 0.73 CYP1A2 (0.46) CYP1A2CASP3ALDH1A1MAPTKDM4E

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 4534/4885TDP1 2924/4885ELANE 136/4885

“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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