SCHEMBL1643205

SCHEMBL1643205

COc1ccccc1N=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
CASP1 P29466 2/20 0.48
HSD17B10 Q99714 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1B1 Q16678 2/20 0.47
NFE2L2 Q16236 2/20 0.47
TRPA1 O75762 1/20 0.47
HPGD P15428 6/20 0.46
MAPT P10636 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44

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
SCHEMBL28610776 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1643202 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3272348 0.87 GAA (0.57) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL27984216 0.87 NFE2L2 (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3663896 0.86 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL16096675 0.86 ROCK2 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL16096676 0.86 ROCK2 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL30633421 0.83 SMN1; SMN2 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9507584 0.82 CYP1B1 (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL9507577 0.82 CYP1B1 (0.54) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674101-A Method for constructing quinoline compound by means of functionalization of organic antimony catalyzed C-H bond 湖南大学 2017-05-17 CN claimed
EP-1268699-B1 ACRYLIC ADHESIVE COMPOSITIONS FOR POLARIZING FILM AND THE POLARIZER FILM USING THE SAME LG CHEMICAL LTD (KR) 2007-06-13 EP claimed
CN-112409188-B Method for synthesizing N-alkylamine 南京理工大学 2023-05-05 CN disclosed
US-20160272742-A1 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-09-22 US disclosed
US-9290591-B2 Iron complexes and methods for polymerization PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-03-22 US disclosed
CN-103342674-B Optical activity pyrrole derivative and synthetic method thereof EAST CHINA NORMAL UNIVERSITY (CN) 2015-08-19 CN disclosed
US-20140011971-A1 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-09 US disclosed
CN-103342674-A Optical activity pyrrole derivative and synthetic method thereof UNIV EAST CHINA NORMAL 2013-10-09 CN disclosed
US-8530593-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
WO-2012109343-A2 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-08-16 WO disclosed
US-20110098431-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 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 (2 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-20110098431-A1 Catalyst Compounds and Use Thereof PAM, AAAS, PAOX ALDH1A1 2448/4885KDM4E 3249/4885MEN1 4594/4885
US-20160272742-A1 IRON COMPLEXES AND METHODS FOR POLYMERIZATION FTH1, TFRC, FDPS ALDH1A1 3893/4885KDM4E 3606/4885MEN1 394/4885

“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.