SCHEMBL9505735

SCHEMBL9505735

Cc1c([N+](=O)[O-])c2ccccc2n1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.58
ALDH1A1 P00352 7/20 0.58
NPSR1 Q6W5P4 5/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
XBP1 P17861 1/20 0.58
RAB9A P51151 1/20 0.58
PAX8 Q06710 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TLR9 Q9NR96 1/20 0.58
ATM Q13315 3/20 0.54
MEN1 O00255 1/20 0.54
NTSR1 P30989 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 3/20 0.51
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL28829653 0.78 MAPT (0.57) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL3160763 0.73 MAPT (0.68) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL30099697 0.73 MAPT (0.68) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL29516939 0.73 MAPT (1.00) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL3262089 0.73 MAPT (1.00) MAPTALDH1A1NPSR1NPC1LMNA
Nitric Acid SCHEMBL31591113 0.73 GPR3 (0.67) MAPTALDH1A1NPSR1NPC1LMNA
SCHEMBL483003 0.70 GPR3 (0.61) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL31132408 0.70 GPR3 (0.61) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL150552 0.69 MAPT (1.00) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL6285886 0.69 ALKBH5 (0.54) MAPTALDH1A1NPSR1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5001233-A None JP disclosed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
JP-H051233-A INDOLE COMPOUND SEIKO EPSON CORP 1993-01-08 JP 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-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 MAPT 623/4885ALDH1A1 4623/4885NPSR1 4229/4885

“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.