SCHEMBL19832964

SCHEMBL19832964

CCCCCCCC(C)(CCCC)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSR P00390 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL14524137 0.79 NPSR1 (0.53) NPSR1HPGDHSD17B10KMT2AMEN1
SCHEMBL19832961 0.79 TSHR (0.44) HPGDGAACA12HSD17B10KMT2A
SCHEMBL27797941 0.79 NPSR1 (0.48) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL8305529 0.78 NPSR1 (0.60) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL11805458 0.77 NPSR1 (0.43) NPSR1HPGDGAAKMT2AMEN1
SCHEMBL28899627 0.77 NPSR1 (0.43) NPSR1HPGDGAAKMT2AMEN1
Hexane SCHEMBL27460259 0.77 HSD17B10 (0.56) GAAHSD17B10KMT2AMEN1LMNA
Hexane SCHEMBL8305527 0.73 NPSR1 (0.66) NPSR1HPGDGAAKMT2AMEN1
Pentane SCHEMBL27733467 0.73 HSD17B10 (0.56) HPGDHSD17B10KMT2AMEN1LMNA
SCHEMBL19222047 0.73 NPSR1 (0.53) NPSR1HPGDHSD17B10KMT2AMEN1

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-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST JANSSEN PHARMACEUTICA NV (BE) 2018-02-01 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-20180028660-A1 DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST PPARG, PPARA, DGAT1 NPSR1 1289/4885HPGD 397/4885GAA 367/4885

“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.