SCHEMBL1243697

SCHEMBL1243697

CCOC(=O)c1ccnc([N+](=O)[O-])c1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1244970 0.83 NUDT1 (0.48) NUDT1MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL1245000 0.79 AR (0.41) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL15350459 0.78 CYP4F2 (0.50) NUDT1MAPTALDH1A1TSHRCYP4F2
SCHEMBL17674161 0.78 L3MBTL1 (0.54) MAPTALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL1245112 0.76 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3481182 0.76 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2TSHRNPC1
SCHEMBL1243723 0.75 AR (0.44) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL15758551 0.74 NUDT1 (0.47) NUDT1MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL29105406 0.73 NUDT1 (0.46) NUDT1MAPTALDH1A1SMN1; SMN2TSHR
SCHEMBL28542359 0.73 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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 5 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
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
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 NUDT1 179/4885MAPT 3640/4885ALDH1A1 349/4885

“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.