SCHEMBL426382

SCHEMBL426382

CCOC(=O)c1ccc([N+](=O)[O-])cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
HPGD P15428 1/20 0.54
TDP1 Q9NUW8 3/20 0.51
TSHR P16473 1/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1F O60840 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CACNA1D Q01668 1/20 0.49

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
SCHEMBL5787680 0.93 SMN1; SMN2 (0.60) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL7723906 0.89 SMN1; SMN2 (0.68) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL550516 0.88 SMN1; SMN2 (0.63) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL12393859 0.87 ADRB2 (0.55) SMN1; SMN2ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6750268 0.86 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL5925545 0.86 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL7791316 0.85 SMN1; SMN2 (0.64) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL8490992 0.85 TDP1 (0.70) SMN1; SMN2ADRB2ADRB1ADRB3MAPT
SCHEMBL26687978 0.85 SMN1; SMN2 (0.67) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL25837923 0.85 SMN1; SMN2 (0.64) SMN1; SMN2ADRB2ADRB1ADRB3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102690211-B The preparation method of tolvaptan intermediate ZHENGZHOU MINGZE MEDICAL TECHNOLOGY CO.,LTD. (CN) 2015-12-09 CN claimed
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-07-20 US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
CN-111433577-A Temperature detection label and article management device using same 株式会社日立制作所 2020-07-17 CN disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
WO-2010057118-A2 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
WO-2010057118-A2 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
US-20050277630-A1 Antibacterial agents CHUPAK LOUIS S 2005-12-15 US disclosed
EP-1594495-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069245-A1 OXAZOLIDINONE DERIVATES N-SUBSTITUTED BY A TRICYCLIC RING, FOR USE AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed
EP-0093488-A2 Nortropyl benzopyrrolinone compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1983-11-09 EP 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 (5 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-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 SMN1; SMN2 4690/4885ADRB2 636/4885ADRB1 774/4885
US-20050277630-A1 Antibacterial agents MRPL21, RPN2, FBL SMN1; SMN2 2248/4885ADRB2 4022/4885ADRB1 3568/4885
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 SMN1; SMN2 4659/4885ADRB2 27/4885ADRB1 85/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 SMN1; SMN2 4690/4885ADRB2 636/4885ADRB1 774/4885
US-20230226228-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR DETECTION OF BACTERIAL INFECTION TLR5, SLC10A2, FNTB SMN1; SMN2 3077/4885ADRB2 1876/4885ADRB1 1298/4885

“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.