SCHEMBL1601435

SCHEMBL1601435

O=C1NC(=O)c2c1cc([N+](=O)[O-])c1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 1/20 0.47
HPRT1 P00492 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
CTSB P07858 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
STAT6 P42226 1/20 0.44
HIF1A Q16665 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GSK3B P49841 2/20 0.43

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
SCHEMBL4440392 0.75 CTSB (0.49) SIRT2HPRT1TDP1CTSBCYP3A4
SCHEMBL772678 0.74 CYP3A4 (0.59) MAOAMAOBTDP1POLBCYP3A4
SCHEMBL1323425 0.74 CASP6 (0.53) SIRT2MAOAMAOBHPRT1TDP1
SCHEMBL28075704 0.73 MAOA (0.44) MAOAMAOBTDP1POLBCYP3A4
SCHEMBL338831 0.73 PARP1 (0.51) TDP1POLBCYP3A4ALDH1A1CYP1A2
SCHEMBL7896263 0.73 PPOX (0.46) MAOATDP1POLBCYP3A4TP53
SCHEMBL30050991 0.73 SMN1; SMN2 (0.61) TDP1POLBCYP3A4ALDH1A1GSK3B
SCHEMBL284027 0.73 SMN1; SMN2 (0.61) TDP1POLBCYP3A4ALDH1A1GSK3B
SCHEMBL2114118 0.73 GSK3B (0.57) TDP1POLBCYP3A4CYP1A2CYP2C9
SCHEMBL11248196 0.73 GSK3B (0.45) ALDH1A1GSK3BCHEK1WEE1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451604-B2 Methods of measuring hydrogen sulfide concentrations in reservoir fluids SHELL OIL COMPANY (US) 2019-10-22 US claimed
EP-2046817-B1 IMPROVED PROCESS FOR THE PREPARATION OF COPOLYMER-1 MOMENTA PHARMACEUTICALS INC (US) 2009-12-16 EP claimed
US-20080021192-A1 PROCESS FOR THE PREPARATION OF COPOLYMER-1 MOMENTA PHARMACEUTICALS, INC. (US) 2008-01-24 US claimed
EP-0698230-A1 CHEMICALLY AMPLIFIED PHOTORESIST International Business Machines Corporation (US) 1996-02-28 EP claimed
JP-H08501890-A 1996-02-27 JP claimed
EP-0698230-A4 CHEMICALLY AMPLIFIED PHOTORESIST IBM (US) 1995-10-24 EP claimed
WO-1994010608-A9 CHEMICALLY AMPLIFIED PHOTORESIST 1994-07-21 WO claimed
WO-1994010608-A1 CHEMICALLY AMPLIFIED PHOTORESIST INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-05-11 WO claimed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US claimed
US-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-08-08 US disclosed
US-11325944-B2 Macrocyclic peptides and derivatives thereof with opioid activity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-05-10 US disclosed
EP-3107919-B1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIV FLORIDA (US) 2021-01-27 EP disclosed
US-20200317732-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-10-08 US disclosed
US-20200109168-A1 MACROCYCLIC PEPTIDES AND DERIVATIVES THEREOF WITH OPIOID ACTIVITY UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2020-04-09 US disclosed
WO-1994010608-A9 CHEMICALLY AMPLIFIED PHOTORESIST 1994-07-21 WO disclosed
WO-1994010608-A1 CHEMICALLY AMPLIFIED PHOTORESIST INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-05-11 WO disclosed
EP-0010994-B1 PROCESS FOR PRODUCING SUBSTITUTED NAPHTHALIC ACID COMPOUNDS BRENT CHEMICALS INTERNATIONAL PLC (GB) 1983-04-20 EP disclosed
US-4181530-A ELECTRON ATTRACTING PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-01-01 US disclosed
US-4146720-A RODENTICIDES AND ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1979-03-27 US disclosed
US-3963779-A 1,1-BIS(N,N-DIPHENYL-ALKYL-AMINO-PHENYL)-ALKANE MITSUBISHI PAPER MILLS, LTD. (JA) 1976-06-15 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 (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-20200109168-A1 MACROCYCLIC PEPTIDES AND DERIVATIVES THEREOF WITH OPIOID ACTIVITY OPRL1, OPRM1, OPRK1 SIRT2 4627/4885MAOA 779/4885MAOB 754/4885
US-11718645-B2 Macrocyclic therapeutic agents, methods of manufacture, and methods of treatment NFATC1, MCL1, ICOS SIRT2 1605/4885MAOA 3456/4885MAOB 3571/4885
US-20200317732-A1 MACROCYCLIC THERAPEUTIC AGENTS, METHODS OF MANUFACTURE, AND METHODS OF TREATMENT NFATC1, MCL1, ICOS SIRT2 1605/4885MAOA 3456/4885MAOB 3571/4885
US-11325944-B2 Macrocyclic peptides and derivatives thereof with opioid activity OPRL1, OPRM1, OPRK1 SIRT2 4627/4885MAOA 779/4885MAOB 754/4885

“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.