SCHEMBL4158890

SCHEMBL4158890

O=C(NO)c1nccc2c(C(=O)N3CCC[C@H]3CO)cn(Cc3ccc(F)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.39
NTRK1 P04629 2/20 0.38
FAP Q12884 1/20 0.37
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PDE10A Q9Y233 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CHRM1 P11229 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
SCHEMBL4165476 0.81 PRKAA2 (0.39) SLC22A12NTRK1HCRTR1HCRTR2CNR1
SCHEMBL4170836 0.73 HCRTR1 (0.38) HCRTR1HCRTR2SPHK2SPHK1
SCHEMBL4166413 0.73 HCRTR1 (0.38) HCRTR1HCRTR2SPHK2SPHK1
SCHEMBL4161051 0.71 RAB9A (0.40) CNR1CNR2
SCHEMBL4158885 0.71 HPGD (0.40) PDE10A
SCHEMBL4165466 0.71 PDE4A (0.38) SLC22A12HCRTR1HCRTR2SPHK2SPHK1
SCHEMBL1684252 0.66 KMT2A (0.42) HCRTR1HCRTR2CNR1CNR2
SCHEMBL16341513 0.66 CHRM1 (0.63) CNR1CNR2SPHK2CHRM1
SCHEMBL5864879 0.66 HCRTR1 (0.44) SLC22A12HCRTR1HCRTR2
SCHEMBL4918775 0.66 HCRTR1 (0.44) SLC22A12HCRTR1HCRTR2

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed

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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP SLC22A12 2885/4885NTRK1 4719/4885FAP 374/4885

“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.