SCHEMBL386455

SCHEMBL386455

O=[N+]([O-])c1cccc2[c]cccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.46
GPR35 Q9HC97 1/20 0.44
GAA P10253 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSB P07858 1/20 0.42
NOS1 P29475 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL249714 0.87 TDP1 (0.52) TDP1ALDH1A1POLBCYP3A4ALOX15
SCHEMBL4303054 0.79 TDP1 (0.42) TDP1ALDH1A1GPR35CYP3A4ALOX15
SCHEMBL10716598 0.77 TDP1 (0.56) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL29475175 0.77 TDP1 (1.00) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL57166 0.77 TDP1 (1.00) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL11838471 0.77 TDP1 (0.48) TDP1ALDH1A1GPR35HSD17B10MEN1
SCHEMBL8370815 0.76 TDP1 (0.52) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL28093598 0.75 TDP1 (0.95) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL4306587 0.74 TDP1 (0.61) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL33832 0.72 TDP1 (0.46) TDP1ALDH1A1GPR35HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES LOHSE OLIVIER (FR) 2012-08-30 US claimed
EP-1791820-B1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES NOVARTIS AG (CH) 2009-12-02 EP claimed
US-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE LOHSE OLIVIER 2009-02-26 US claimed
US-20080312462-A1 Process for the manufacture of HMG-CoA reductase inhibitory mevalonic acid derivatives SEDELMEIER GOTTFRIED 2008-12-18 US claimed
CN-101208341-A Hexarylene and pentarylene tetracarboxylic acid diimides BASF AG (DE) 2008-06-25 CN claimed
US-20070155970-A1 PROCESS FOR THE MANUFACTURE OF HMG-COA REDUCTASE INHIBITORY MEVALONIC ACID DERIVATIVES SEDELMEIER GOTTFRIED 2007-07-05 US claimed
EP-1791820-A2 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES Novartis AG (CH) 2007-06-06 EP claimed
CN-1318412-C Process for the manufacture of HMG-CoA reductase inhibitory mevalonic acid derivatives NOVARTIS AG (CH) 2007-05-30 CN claimed
CN-1968927-A Enantioselektive preparation of quinoline derivative NOVARTIS AG (CH) 2007-05-23 CN claimed
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US claimed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US claimed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO claimed
US-5338640-A Alkali-developable; resistance to oxygen etching; multilayer photoresists; photolithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1994-08-16 US claimed
US-5278273-A Additional polymer FUJI PHOTO FILM CO., LTD. (JP) 1994-01-11 US claimed
US-5276124-A Ladder polymers, photoresists, lithographic printing plates FUJI PHOTO FILM CO., LTD. (JP) 1994-01-04 US claimed
US-5252686-A Siloxane polymers and positive working light-sensitive compositions comprising the same FUJI PHOTO FILM CO., LTD. (JP) 1993-10-12 US claimed
US-5216105-A SILICONE POLYMERS AND POSITIVE WORKING LIGHT-SENSITIVE COMPOSITIONS COMPRISING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 1993-06-01 US claimed
US-4772534-A PHOTORESISTS FUJI PHOTO FILM CO., LTD. (JP) 1988-09-20 US claimed
US-4125619-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1978-11-14 US claimed
US-4049645-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20080312462-A1 Process for the manufacture of HMG-CoA reductase inhibitory mevalonic acid derivatives HMGCR, COASY, DHCR7 TDP1 4438/4885ALDH1A1 445/4885POLB 2753/4885
US-20070155970-A1 PROCESS FOR THE MANUFACTURE OF HMG-COA REDUCTASE INHIBITORY MEVALONIC ACID DERIVATIVES HMGCR, COASY, DHCR7 TDP1 4632/4885ALDH1A1 523/4885POLB 2811/4885
US-20090054653-A1 ENANTIOSELEKTIVE PREPARATION OF QUINOLINE DERIVATIVE HAX1, OPRK1, OPRD1 TDP1 1997/4885ALDH1A1 258/4885POLB 856/4885
US-20120220775-A1 ENANTIOSELECTIVE PREPARATION OF QUINOLINE DERIVATIVES OPRM1, OPRD1, HAX1 TDP1 2185/4885ALDH1A1 351/4885POLB 655/4885

“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.