SCHEMBL1301751

SCHEMBL1301751

CCOc1cc([N+](=O)[O-])cc(C=O)c1O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.71
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 3/20 0.43
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
HTT P42858 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
SCHEMBL27717146 0.84 ERN1 (0.52) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL766081 0.83 ERN1 (1.00) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL29672629 0.83 ERN1 (1.00) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL11575963 0.80 ALDH1A1 (0.56) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL1609231 0.79 LMNA (0.46) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL1669597 0.79 ALDH1A1 (0.50) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL4998777 0.79 MAPT (0.56) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL12492120 0.79 ERN1 (0.69) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL29607767 0.78 ERN1 (0.60) ERN1MEN1KMT2AMAPTALDH1A1
SCHEMBL6981731 0.78 ERN1 (0.60) ERN1MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
EP-2385947-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-16 EP disclosed
US-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-03 US disclosed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
WO-2010079114-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2010-07-15 WO disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY 2010-01-28 US disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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 (3 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-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS TTN, CCNI, TPH1 ERN1 2429/4885MEN1 2519/4885KMT2A 1072/4885
US-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ERN1 2349/4885MEN1 3762/4885KMT2A 2830/4885
US-20100022524-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS QTRT1, QTRT2, NQO2 ERN1 1952/4885MEN1 2817/4885KMT2A 2516/4885

“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.