SCHEMBL215546

SCHEMBL215546

CCCOc1ccc([N+](=O)[O-])cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.54
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
ERN1 O75460 2/20 0.51
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2D6 P10635 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
S1PR4 O95977 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28825735 0.93 MAPT (0.55) CYP19A1MAPTALDH1A1ERN1LMNA
SCHEMBL31327257 0.93 MAPT (0.55) CYP19A1MAPTALDH1A1ERN1LMNA
SCHEMBL9480938 0.90 CYP19A1 (0.57) CYP19A1MAPTALDH1A1ERN1LMNA
SCHEMBL4998777 0.89 MAPT (0.56) CYP19A1MAPTALDH1A1ERN1LMNA
SCHEMBL9824820 0.85 MAPT (0.52) MAPTALDH1A1ERN1LMNASMN1; SMN2
SCHEMBL824063 0.85 MAPT (0.52) MAPTALDH1A1ERN1LMNASMN1; SMN2
SCHEMBL4226708 0.84 CYP19A1 (0.63) CYP19A1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14101860 0.84 ERN1 (0.50) CYP19A1MAPTALDH1A1ERN1LMNA
SCHEMBL7367561 0.84 ALDH1A1 (0.55) CYP19A1MAPTALDH1A1ERN1LMNA
SCHEMBL9825468 0.84 MAPT (0.51) CYP19A1MAPTALDH1A1ERN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CELL THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8415338-B2 Oxygen linked pyrimidine derivatives CELL THERAPEUTICS, INC. (US) 2013-04-09 US disclosed
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2012-08-02 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-7129225-B2 Protection against and treatment of hearing loss THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-10-31 US disclosed
US-20060172971-A1 Protection against and treatment of hearing loss NICOTERA THOMAS 2006-08-03 US disclosed
US-7005445-B2 Protein kinase and phosphatase inhibitors and methods for designing them THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-28 US disclosed
US-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2006-02-09 US disclosed
EP-1554294-A1 RUTHENIUM COMPLEXES AS (PRE)CATALYSTS FOR METATHESIS REACTIONS Boehringer Ingelheim International GmbH (DE) 2005-07-20 EP disclosed
EP-1444204-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2004-08-11 EP disclosed
WO-2004035596-A1 RUTHENIUM COMPLEXES AS (PRE)CATALYSTS FOR METATHESIS REACTIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-04-29 WO disclosed
US-20040019015-A1 Protection against and treatment of hearing loss HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) 2004-01-29 US disclosed
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-09-04 US disclosed
WO-2003035621-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS, METHODS FOR DESIGNING THEM, AND METHODS OF USING THEM THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2003-05-01 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 (8 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-20060030544-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 CYP19A1 3485/4885MAPT 2340/4885ALDH1A1 4555/4885
US-20060172971-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 CYP19A1 4787/4885MAPT 3734/4885ALDH1A1 2142/4885
US-20130172338-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP19A1 1550/4885MAPT 3394/4885ALDH1A1 1035/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP19A1 1550/4885MAPT 3394/4885ALDH1A1 1035/4885
US-20040019015-A1 Protection against and treatment of hearing loss NTRK2, AIFM2, AIFM1 CYP19A1 4787/4885MAPT 3734/4885ALDH1A1 2142/4885
US-20120196855-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 CYP19A1 1550/4885MAPT 3394/4885ALDH1A1 1035/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 CYP19A1 2321/4885MAPT 3306/4885ALDH1A1 4720/4885
US-20030166615-A1 Protein kinase and phosphatase inhibitors and methods for designing them PTPN5, PTPN2, PTPN6 CYP19A1 3485/4885MAPT 2340/4885ALDH1A1 4555/4885

“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.