SCHEMBL1145015

SCHEMBL1145015

Cn1cc(C(=O)Nc2ccccc2-c2ccc(I)cc2)c(C(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
NTRK1 P04629 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
IRAK4 Q9NWZ3 8/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL20875262 0.93 NTRK1 (0.52) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL1085490 0.93 ALDH1A1 (0.50) ATMALDH1A1LMNAHTTMAPT
SCHEMBL10060307 0.92 LMNA (0.50) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL121957 0.91 TDP1 (0.53) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL1134831 0.91 ATM (0.49) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL29419144 0.91 TDP1 (0.53) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL4095614 0.90 ATM (0.43) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL527999 0.89 ATM (0.45) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL10061459 0.89 NTRK1 (0.48) ATMNTRK1ALDH1A1LMNAHTT
SCHEMBL29419096 0.89 NTRK1 (0.56) ATMNTRK1ALDH1A1LMNAHTT

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
CN-102015649-B Method for producing aryl carboxamides BASF SE 2013-06-19 CN claimed
EP-2285779-B1 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-03-27 EP claimed
US-8350046-B2 Method for manufacturing aryl carboxamides BASF SE (DE) 2013-01-08 US claimed
CN-102015649-A Method for producing aryl carboxamides BASF SE 2011-04-13 CN claimed
US-20110054183-A1 Method For Manufacturing Aryl Carboxamides BASF SE 2011-03-03 US claimed
EP-2496560-B1 PROCESS FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2015-04-22 EP disclosed
EP-2496561-B1 PROCESS FOR PREPARING AMINALE AND THEIR USE FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2014-06-04 EP disclosed
US-8598222-B2 Method for preparing 1,3,4-substituted pyrazol compounds BASF SE (DE) 2013-12-03 US disclosed
US-8592578-B2 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-11-26 US disclosed
US-8586750-B2 Method for the production of halogen-substituted 2-(aminomethylidene)-3-oxobutyric acid esters BASF SE (DE) 2013-11-19 US disclosed
CN-102015649-B Method for producing aryl carboxamides BASF SE 2013-06-19 CN disclosed
US-20130041147-A1 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters BASF SE (DE) 2013-02-14 US disclosed
US-20110172436-A1 Method for preparing 1,3,4-substituted pyrazol compounds BASF SE (EP) 2011-07-14 US disclosed
WO-2011054732-A1 PROCESS FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2011-05-12 WO disclosed
WO-2011054733-A1 PROCESS FOR PREPARING AMINALE AND THEIR USE FOR PREPARING 1,3-DISUBSTITUTED PYRAZOLE COMPOUNDS BASF SE (DE) 2011-05-12 WO disclosed
CN-102015649-A Method for producing aryl carboxamides BASF SE 2011-04-13 CN disclosed
US-20110054183-A1 Method For Manufacturing Aryl Carboxamides BASF SE 2011-03-03 US disclosed
US-20110046371-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS BASF SE (DE) 2011-02-24 US disclosed
US-20110040096-A1 Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters BASF SE (DE) 2011-02-17 US disclosed
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds BASF SE (DE) 2010-07-22 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 (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-20110054183-A1 Method For Manufacturing Aryl Carboxamides H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, CBR1 ATM 3784/4885NTRK1 1464/4885ALDH1A1 2124/4885
US-20110172436-A1 Method for preparing 1,3,4-substituted pyrazol compounds IPO8, P2RX4, IPO11 ATM 1732/4885NTRK1 3921/4885ALDH1A1 1798/4885
US-20100184994-A1 Method for Producing Difluoromethyl-Substituted Pyrazole Compounds NR4A1, NR4A3, NR3C1 ATM 4646/4885NTRK1 904/4885ALDH1A1 426/4885
US-20130041147-A1 Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters FFAR3, CBR3, NMBR ATM 4575/4885NTRK1 256/4885ALDH1A1 1418/4885
US-20110046371-A1 PROCESS FOR PREPARING 2-(AMINOMETHYLIDENE)-4,4-DIFLUORO-3-OXOBUTYRIC ESTERS FFAR3, CBR3, NMBR ATM 4575/4885NTRK1 256/4885ALDH1A1 1418/4885
US-20110040096-A1 Method for the Production of Halogen-Substituted 2-(aminomethylidene)-3-oxobutyric Acid Esters AADAC, CBR3, AOC3 ATM 3917/4885NTRK1 1557/4885ALDH1A1 357/4885

“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.