SCHEMBL10313593

SCHEMBL10313593

Cc1nn2c(=O)c([N+](=O)[O-])c(-c3ccccc3)[nH]c2c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GAA P10253 2/20 0.40
CDK8 P49336 1/20 0.39
ACVR1 Q04771 1/20 0.39
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 2/20 0.36
PKM P14618 2/20 0.36
MAT2A P31153 2/20 0.36
PLAT P00750 2/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 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
SCHEMBL10313494 0.95 HPRT1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10275547 0.92 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10276012 0.92 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10275915 0.91 PLAT (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10313581 0.85 HPRT1 (0.41) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10275365 0.84 HCRTR1 (0.41) MAPTNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL10275821 0.84 ABCC8 (0.36) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10313572 0.82 HPRT1 (0.39) MAPTALDH1A1GAAKMT2AMAT2A
SCHEMBL10276241 0.78 MAPK13 (0.42) NPC1RAB9AGAAKMT2AMAT2A
SCHEMBL10275224 0.77 ARF6 (0.41) KMT2AMAT2APLAT

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 MAPT 750/4885NPC1 1381/4885RAB9A 3784/4885

“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.