SCHEMBL31597009

SCHEMBL31597009

O=C(Oc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.60
FAAH O00519 3/20 0.56
TRPV1 Q8NER1 1/20 0.56
HPGD P15428 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
MEN1 O00255 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL29698174 0.92 HPGD (0.68) MGLLFAAHTRPV1HPGDCYP1A2
SCHEMBL8247508 0.92 HPGD (0.68) MGLLFAAHTRPV1HPGDCYP1A2
SCHEMBL28958710 0.81 GAA (0.56) MGLLHPGDCYP1A2MEN1RAB9A
SCHEMBL13647708 0.81 HPGD (0.54) MGLLFAAHTRPV1HPGDMEN1
SCHEMBL26042174 0.80 CYP1A2 (0.69) MGLLFAAHCYP1A2CYP2D6MEN1
SCHEMBL18424173 0.80 CYP1A2 (0.73) MGLLFAAHCYP1A2CYP2D6MEN1
SCHEMBL1734128 0.79 MGLL (0.63) MGLLFAAHHPGDCYP1A2CYP2D6
SCHEMBL31596882 0.79 LIPE (0.58) MGLLHPGDMEN1RAB9AKMT2A
SCHEMBL640619 0.79 CYP1A2 (0.76) MGLLFAAHCYP1A2CYP2D6MEN1
SCHEMBL19675154 0.78 ROCK1 (0.53) MGLLMEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109097-A2 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-30 WO disclosed
US-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2025-05-29 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-20250171419-A1 NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF NAMPT, NAPRT, NNMT MGLL 3277/4885FAAH 3152/4885TRPV1 4057/4885

“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.