SCHEMBL3022006

SCHEMBL3022006

CCOc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 2/20 0.55
GPR35 Q9HC97 2/20 0.51
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
PTGS2 P35354 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL27714825 0.87 CYP19A1 (0.56) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL4233807 0.87 ALDH1A1 (0.53) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL13215174 0.86 ALDH1A1 (0.49) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL27735670 0.86 MAPT (0.51) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL4238772 0.84 MAPT (0.62) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL30365378 0.84 MAPT (0.62) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL27456246 0.84 MAPT (0.50) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL6232066 0.84 GPR35 (0.49) ALDH1A1MAPTKMT2ALMNAGPR35
SCHEMBL9699858 0.83 CYP19A1 (0.58) ALDH1A1MAPTKMT2ANPSR1LMNA
SCHEMBL27719953 0.83 CYP19A1 (0.58) ALDH1A1MAPTKMT2ANPSR1LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2021-07-01 US disclosed
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
US-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity VIROSTATICS SRL (IT) 2019-05-21 US disclosed
EP-3442947-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS Epizyme Inc (US) 2019-02-20 EP disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 US disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
EP-2887943-B1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES VIROSTATICS SRL (IT) 2017-12-06 EP disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
US-8318731-B2 Pyrrolopyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 US disclosed
US-20100204197-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
EP-2185562-A1 PYRROLOPYRIMIDINES Janssen Pharmaceutica, N.V. (BE) 2010-05-19 EP disclosed
WO-2009016132-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2009-02-05 WO disclosed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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 (6 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-10294218-B2 4,6-disubstituted aminopyrimidine derivatives have anti-HIV activity DUT, UMPS, DPYD ALDH1A1 872/4885MAPT 1733/4885KMT2A 1615/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885MAPT 3035/4885KMT2A 17/4885
US-20210198277-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 ALDH1A1 185/4885MAPT 3035/4885KMT2A 17/4885
US-20100204197-A1 PYRROLOPYRIMIDINES PLK4, PLK2, PLK3 ALDH1A1 2934/4885MAPT 2102/4885KMT2A 3070/4885
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS DPYD, ABL1, BRD4 ALDH1A1 507/4885MAPT 2753/4885KMT2A 219/4885
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A ALDH1A1 395/4885MAPT 4388/4885KMT2A 3175/4885

“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.