SCHEMBL1245682

SCHEMBL1245682

CCOC(=O)c1cncc([N+](=O)[O-])c1CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 3/20 0.46
HPGD P15428 2/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
HSP90AA1 P07900 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 5/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL1894132 0.81 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL3481182 0.80 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL1243661 0.78 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL4070785 0.77 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL1245984 0.74 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL6806977 0.74 KMT2A (0.54) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL473953 0.74 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL15864377 0.73 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL30101777 0.72 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2POLBHPGD
SCHEMBL1523174 0.72 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2POLBHPGD

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 ALDH1A1 349/4885LMNA 3268/4885SMN1; SMN2 3042/4885

“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.