SCHEMBL1245686

SCHEMBL1245686

Cc1c(C(=O)O)cncc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
DTYMK P23919 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
TPMT P51580 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.37
CASP6 P55212 1/20 0.37

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
SCHEMBL11668659 0.84 TSHR (0.44) TSHRL3MBTL1POLBTDP1KMT2A
SCHEMBL15371478 0.82 TSHR (0.45) TSHRL3MBTL1POLBDTYMKTDP1
SCHEMBL1473281 0.80 TDP1 (0.56) TSHRTDP1KMT2AMEN1ALDH1A1
SCHEMBL2485439 0.80 DTYMK (0.45) TSHRL3MBTL1POLBDTYMKKMT2A
SCHEMBL1671508 0.79 DTYMK (0.44) TSHRL3MBTL1POLBDTYMKTDP1
SCHEMBL18914011 0.78 HCAR2 (0.46) L3MBTL1TDP1KMT2AMEN1KDM4E
SCHEMBL26985016 0.76 GPR35 (0.44) TSHRTDP1KMT2AMEN1KDM4E
SCHEMBL2475362 0.75 TSHR (0.41) TSHRL3MBTL1POLBDTYMKTDP1
SCHEMBL31093806 0.75 TSHR (0.50) TSHRTDP1KMT2AMEN1ALDH1A1
SCHEMBL28072926 0.75 TSHR (0.50) TSHRTDP1KMT2AMEN1ALDH1A1

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 TSHR 4663/4885L3MBTL1 4558/4885POLB 957/4885

“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.