SCHEMBL22649178

SCHEMBL22649178

CCC(=O)C(C)NC(=O)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.33
TBXAS1 P24557 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
QPCT Q16769 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL12150031 0.82 CYP26A1 (0.40) TBXAS1KDM4EALDH1A1KMT2A
SCHEMBL17512450 0.80 CYP3A4 (0.40) TBXAS1KDM4EQPCT
SCHEMBL9913350 0.78 TBXAS1 (0.34) TBXAS1KDM4EALDH1A1QPCTPOLB
SCHEMBL9913356 0.78 TBXAS1 (0.34) TBXAS1KDM4EALDH1A1QPCTPOLB
SCHEMBL28418676 0.77 TBXAS1 (0.33) TBXAS1KDM4EALDH1A1POLB
SCHEMBL8569467 0.75 TBXAS1 (0.35) TBXAS1ALDH1A1POLB
SCHEMBL9913351 0.73 ALDH1A1 (0.35) TBXAS1ALDH1A1QPCT
SCHEMBL20474442 0.73 MAPT (0.31) TBXAS1KDM4E
SCHEMBL6808774 0.73 KMT2A (0.41) AHRALDH1A1QPCTKMT2A
SCHEMBL5647599 0.72 CYP2D6 (0.39) TBXAS1KDM4EALDH1A1KMT2A

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 1 patent. 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

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 AHR 2638/4885TBXAS1 698/4885KDM4E 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.