SCHEMBL1243723

SCHEMBL1243723

CCOC(=O)c1c(C)ccnc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.44
MAPT P10636 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41

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
SCHEMBL1245000 0.83 AR (0.41) ARMAPTNPC1RAB9ANFKB1
SCHEMBL2475363 0.80 TDP1 (0.51) MAPTALDH1A1HTTPOLBESR2
SCHEMBL1244970 0.79 NUDT1 (0.48) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL11620693 0.78 POLB (0.41) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL2113012 0.78 CA12 (0.55) MAPTNPC1RAB9ACA12CA1
SCHEMBL306569 0.78 CA12 (0.50) MAPTNPC1RAB9ACA12CA1
SCHEMBL28542359 0.77 MAPT (0.45) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL5481728 0.77 MAPT (0.48) ARMAPTNPC1RAB9ANFKB1
SCHEMBL17674161 0.77 L3MBTL1 (0.54) MAPTNPC1RAB9ANFKB1MAPK1
SCHEMBL9308847 0.76 BRD4 (0.50) MAPTNPC1RAB9AMAPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
EP-2029589-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO 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-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF DPYD, QDPR, DHPS AR 4868/4885MAPT 3640/4885NPC1 3168/4885

“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.