SCHEMBL401928

SCHEMBL401928

CCCc1ccc(CON)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGXT P21549 10/20 0.60
IDO1 P14902 16/20 0.56
CYP3A4 P08684 2/20 0.54

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
SCHEMBL438248 0.82 IDO1 (0.78) AGXTIDO1CYP3A4
SCHEMBL1714959 0.80 AGXT (0.65) AGXTIDO1CYP3A4
SCHEMBL8750441 0.80 LPL (0.48) CYP3A4
SCHEMBL142480 0.79 LPL (0.62) CYP3A4
SCHEMBL14232112 0.78 LPL (0.46) CYP3A4
Hydroxyamine SCHEMBL17181093 0.76 LPL (0.61) CYP3A4
SCHEMBL8750358 0.76 LPL (0.45) CYP3A4
SCHEMBL21633649 0.76 LPL (0.45) CYP3A4
SCHEMBL26733845 0.76 THRB (0.48) AGXTIDO1
SCHEMBL9839848 0.76 LPL (0.59) CYP3A4

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-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 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-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 AGXT 2638/4885IDO1 4025/4885CYP3A4 4711/4885

“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.