SCHEMBL831217

SCHEMBL831217

C=CCc1ccc[c]c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL58862 0.79 MEN1 (0.36) GABRA1GABRB2MEN1KMT2AALDH1A1
SCHEMBL7701111 0.79 ALDH1A1 (0.32) GABRA1GABRB2ALDH1A1POLB
SCHEMBL27806339 0.77 LOXL2 (0.37) ALDH1A1TSHRHPGD
SCHEMBL16957068 0.77 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1HPGD
SCHEMBL29015148 0.75 ALDH1A1 (0.33) ALDH1A1TSHRHPGD
SCHEMBL1173930 0.75 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL10746013 0.75 TAAR1 (0.37) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL2256046 0.74 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL27946150 0.73 ALDH1A1 (0.33) ALDH1A1TSHRMAPTL3MBTL1MAPK1
SCHEMBL831218 0.73 TDP1 (0.37) MEN1KMT2AALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
CN-101006052-B Pyrrole derivatives as pharmaceutical agents EXELIXIS INC 2013-11-06 CN disclosed
US-8143295-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-27 US disclosed
US-7704924-B2 Library of compounds comprising pyrrolobenzodiazepine moieties SPIROGEN LIMITED (GB) 2010-04-27 US disclosed
US-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-25 US disclosed
CN-100369905-C Antibiotic & antifouling oxathiazine and its oxide JANSSEN PHARMACEUTICA NV (BE) 2008-02-20 CN disclosed
EP-1575486-A4 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES INC (US) 2007-02-28 EP disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
EP-1575486-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-09-21 EP disclosed
WO-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
US-6608192-B1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-08-19 US disclosed
CN-1322720-A Antibiotic & antifouling oxathiazine and its oxide JANSSEN PHARMACEUTICA NV (BE) 2001-11-21 CN disclosed
US-4293306-A Process for the dyeing and printing of hydrophobic synthetic organic fiber materials with water-insoluble azo dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-06 US 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-20080318984-A1 Compounds Having Activity in Correcting Mutant-Cftr Processing and Uses Thereof CFTR, ABCC5, QPCT GABRA1 1862/4885GABRB2 1488/4885MEN1 4634/4885

“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.