SCHEMBL791926

SCHEMBL791926

COCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
MAOB P27338 2/20 0.58
MAOA P21397 1/20 0.58
LMNA P02545 1/20 0.57
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ACHE P22303 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPT P10636 3/20 0.52
PYCR1 P32322 1/20 0.51
RECQL P46063 1/20 0.51
CA12 O43570 1/20 0.51
HTR1A P08908 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50

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
SCHEMBL1767329 0.87 TSHR (0.65) TSHRMAOBMAOALMNACYP2D6
SCHEMBL28008405 0.86 TSHR (0.59) TSHRMAOBMAOALMNACYP2D6
SCHEMBL30041959 0.85 TSHR (0.54) TSHRMAOBMAOALMNACYP2D6
SCHEMBL8260909 0.85 TSHR (0.54) TSHRMAOBMAOALMNACYP2D6
SCHEMBL3721964 0.84 TSHR (0.57) TSHRMAOBMAOALMNACYP2D6
SCHEMBL924777 0.84 TSHR (0.53) TSHRMAOBMAOALMNACYP2D6
SCHEMBL5717162 0.84 TSHR (0.61) TSHRMAOBMAOALMNACYP2D6
SCHEMBL9628070 0.84 TSHR (0.66) TSHRMAOBMAOALMNAMEN1
SCHEMBL20337575 0.84 TSHR (0.61) TSHRMAOBMAOALMNAMEN1
SCHEMBL4798585 0.84 TSHR (0.61) TSHRMAOBMAOALMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
US-4139346-A Nucleic acid and protein binding paper ENZO BIO CHEM INCORPORATED (US) 1979-02-13 US claimed
US-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer JNC CORPORATION (JP) 2021-04-06 US disclosed
EP-3774734-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE Elex Biotech, Inc. (US) 2021-02-17 EP disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
WO-2019191502-A1 COMPOUNDS FOR TREATMENT OF CARDIAC ARRHYTHMIAS AND HEART FAILURE ELEX BIOTECH, INC. (US) 2019-10-03 WO disclosed
US-20190127643-A1 LIQUID CRYSTAL ALIGNING AGENT FOR PHOTOALIGNMENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE USING IT, AND DIAMINE AND POLYMER JNC CORPORATION (JP) 2019-05-02 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
WO-2016112088-A1 ARYLOXYACETYLINDOLES AND ANALOGS AS ANTIBIOTIC TOLERANCE INHIBITORS SPERO THERAPEUTICS, INC. (US) 2016-07-14 WO disclosed
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-08-29 US disclosed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed
EP-0279096-B1 BENZYL ETHER COMPOUND AND PROCESS FOR PRODUCING THE SAME KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-07-07 EP disclosed
US-5001275-A Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-03-19 US disclosed
EP-0279096-A2 Benzyl ether compound and process for producing the same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-08-24 EP disclosed
US-4348223-A FOR PREEMERGENT AND POSTEMERGENT APPLICATION PPG INDUSTRIES, INC. (US) 1982-09-07 US disclosed
US-4286964-A Polyfunctional epoxides and halohydrins used as bridging groups to bind aromatic amine group-containing alcohols and thiols to hydroxyl bearing substrates SEED BRIAN S 1981-09-01 US disclosed
EP-0027377-A1 Derivatives of hydroxyl-bearing substrates, process for their preparation and a method of application Seed, Brian Sarsfield (US) 1981-04-22 EP 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 (3 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-10968392-B2 Liquid crystal aligning agent for photoalignment, liquid crystal alignment film and liquid crystal display device using it, and diamine and polymer DDT, DCLRE1A, DVL1 TSHR 4215/4885MAOB 2266/4885MAOA 894/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885MAOB 983/4885MAOA 1396/4885
US-20020120011-A1 Substituted N, N-disubstituted diamino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, PCTP, DBI TSHR 4131/4885MAOB 1480/4885MAOA 2106/4885

“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.