SCHEMBL4374162

SCHEMBL4374162

NNC1=Nc2ccc(C(=O)c3ccc(Cl)cc3)cc2C(c2cccc(Cl)c2)=NC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.35
OPRK1 P41145 2/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
CNR1 P21554 4/20 0.34
ALOX15 P16050 2/20 0.34
GRM5 P41594 1/20 0.34
MAP4K4 O95819 1/20 0.34
PGR P06401 1/20 0.33
NTSR1 P30989 1/20 0.33
PDE4D Q08499 1/20 0.33
RORB Q92753 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL7327196 0.80 OPRK1 (0.48) OPRK1CNR1NTSR1PDE4D
SCHEMBL4368787 0.74 PDE4D (0.64) OPRK1CNR1PGRNTSR1PDE4D
SCHEMBL4377703 0.74 CHRM1 (0.63) OPRK1CNR1NTSR1PDE4D
SCHEMBL9378418 0.73 LMNA (0.36) OPRK1CNR1NTSR1PDE4D
SCHEMBL4373942 0.73 GABRA1 (0.65) OPRK1FNTAFNTBPGGT1B
SCHEMBL11637171 0.72 PTGS2 (0.46) OPRK1CNR1NTSR1PDE4D
SCHEMBL11376827 0.72 GABRA1 (0.40) OPRK1PDE4D
SCHEMBL11385109 0.72 GABRA1 (0.49) OPRK1PDE4D
SCHEMBL11039807 0.71 OPRK1 (0.49) OPRK1CNR1NTSR1PDE4D
SCHEMBL4372062 0.71 OPRK1 (0.42) OPRK1FNTAFNTBPGGT1BCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339709-B1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7153958-B2 Farnesyl transferase inhibiting benzoheterocyclic derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-26 US disclosed
US-20040034218-A1 Farnesyl transferase inhibiting benzoheterocyclic derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-19 US disclosed
EP-1339709-A1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-03 EP disclosed
WO-2002042296-A1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-30 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-20040034218-A1 Farnesyl transferase inhibiting benzoheterocyclic derivatives FNTA, FNTB, RCE1 NUDT1 1436/4885OPRK1 2536/4885FNTA 1/4885

“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.