SCHEMBL16670537

SCHEMBL16670537

C=C(c1ccc(Cl)cc1[N+](=O)[O-])N(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C19 P33261 2/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
VCAM1 P19320 1/20 0.44

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
SCHEMBL28114927 0.83 HPGD (0.52) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL16042729 0.82 HPGD (0.51) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL8842593 0.78 HPGD (0.51) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL1799899 0.78 VCAM1 (0.51) MAPK1RAB9AVCAM1
SCHEMBL11270931 0.78 HPGD (0.50) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL848335 0.77 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL29758067 0.77 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL11301098 0.76 HPGD (0.59) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL11687524 0.76 HPGD (0.49) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL5548331 0.76 VCAM1 (0.54) HPGDMAPK1ALDH1A1NPSR1POLB

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-20150119402-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF UNIV CALIFORNIA (US) 2015-04-30 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-20150119402-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF CHRNA7, CHRNA1, CHRNA2 HPGD 1602/4885CYP1A2 1898/4885CYP3A4 2069/4885

“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.