SCHEMBL7248913

SCHEMBL7248913

COc1ccc(C(C)NC(=O)CN(CCCNS(C)(=O)=O)c2cc(C)nc(-n3ccnc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS2 P35228 4/20 0.38
MAPT P10636 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CNR1 P21554 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NOS1 P29475 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35

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
SCHEMBL6295151 0.87 NOS2 (0.44) POLBKMT2ANOS2HCRTR1ALDH1A1
SCHEMBL6296163 0.77 NOS2 (0.46) POLBKMT2ANOS2ALDH1A1NOS1
SCHEMBL6295191 0.77 NOS2 (0.46) POLBNOS2ALDH1A1KDM4E
SCHEMBL6296231 0.77 NOS2 (0.46) POLBNOS2ALDH1A1KDM4E
SCHEMBL6296419 0.76 NOS2 (0.46) POLBNOS2ALDH1A1KDM4ECYP3A4
SCHEMBL6295163 0.76 NOS2 (0.46) POLBNOS2ALDH1A1KDM4ECYP3A4
SCHEMBL6835069 0.76 NOS2 (0.38) KMT2ANOS2NOS1
SCHEMBL5190101 0.75 POLB (0.46) POLBMEN1KMT2AALDH1A1GPR139
SCHEMBL5193272 0.74 POLB (0.46) TP53POLBKMT2ANOS2
SCHEMBL6296314 0.74 NOS2 (0.52) NOS2NOS1

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-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-05-15 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-20030092678-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TP53 4265/4885POLB 1328/4885MEN1 2172/4885

“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.