SCHEMBL22649151

SCHEMBL22649151

CCC(C)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DRD3 P35462 1/20 0.39
▸ RPS6KA2 Q15349 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL5398146 0.84 ALDH1A1 (0.44) KMT2AMEN1CYP1A2TDP1CASP3
SCHEMBL5398141 0.84 ALDH1A1 (0.44) KMT2AMEN1CYP1A2TDP1CASP3
SCHEMBL5398176 0.84 ALDH1A1 (0.44) KMT2AMEN1CYP1A2TDP1CASP3
SCHEMBL14256476 0.80 CYP1A2 (0.50) KMT2AMEN1CYP1A2TDP1CASP3
SCHEMBL6520640 0.73 CYP1A2 (0.47) KMT2AMEN1CYP1A2CASP3ALDH1A1
SCHEMBL12478036 0.73 LMNA (0.47) KMT2AMEN1CYP1A2ALDH1A1KDM4E
SCHEMBL11726171 0.73 LMNA (0.47) KMT2AMEN1CYP1A2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5967158 0.73 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL5967154 0.73 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL12834808 0.72 CYP1A2 (0.50) KMT2AMEN1CYP1A2CASP3ALDH1A1

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 KMT2A 4615/4885MEN1 242/4885CYP1A2 4534/4885

“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.

Send feedback