SCHEMBL4596378

SCHEMBL4596378

O=c1cc(NCc2ccccc2)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.60
BRD4 O60885 10/20 0.58
CYP2C9 P11712 1/20 0.58
CNR2 P34972 2/20 0.55
AR P10275 1/20 0.50
FABP4 P15090 1/20 0.46
ACP1 P24666 1/20 0.44
PDE2A O00408 1/20 0.43

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
SCHEMBL17758380 0.80 BRD4 (0.66) CNR1BRD4CYP2C9CNR2FABP4
SCHEMBL4596700 0.77 BRD4 (0.56) CNR1BRD4CYP2C9CNR2AR
SCHEMBL17032566 0.75 CNR1 (1.00) CNR1CNR2
SCHEMBL17758373 0.75 BRD4 (0.66) CNR1BRD4CYP2C9CNR2FABP4
SCHEMBL17758378 0.73 BRD4 (0.52) CNR1BRD4CYP2C9CNR2AR
SCHEMBL4595919 0.72 AR (0.49) CNR1AR
SCHEMBL17025654 0.71 CNR1 (1.00) CNR1BRD4CNR2
SCHEMBL4596701 0.71 PTPN5 (0.44) ACP1
SCHEMBL1771872 0.71 AR (0.61) AR
SCHEMBL4595908 0.70 GSK3B (0.58) ACP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 CNR1 3663/4885BRD4 1727/4885CYP2C9 4834/4885

“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.