SCHEMBL799388

SCHEMBL799388

Cc1cc([N+](=O)[O-])c(C)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
RECQL P46063 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 2/20 0.44
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
HIF1A Q16665 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
SCHEMBL29535223 1.00 GPR35 (0.52) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL10266188 0.91 GPR35 (0.52) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL4368022 0.89 GPR35 (0.54) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL7937707 0.89 SNCA (0.55) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29510944 0.89 SNCA (0.55) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL8580180 0.87 GPR35 (0.52) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL11547714 0.87 GPR35 (0.52) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29664349 0.87 GPR35 (0.52) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL8053279 0.86 TSHR (0.58) GPR35ALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL62337 0.84 GPR35 (0.54) GPR35ALDH1A1TSHRCYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
CN-110776412-B Method for preparing isovaleric acid, ligand, complex and application thereof in catalytic system 万华化学集团股份有限公司 2022-04-22 CN disclosed
EP-3408332-B1 BIS-AZO COLORANTS FOR USE AS BLUING AGENTS MILLIKEN & CO (US) 2022-03-23 EP disclosed
EP-3408368-B1 BIS-AZO COLORANTS FOR USE AS BLUING AGENTS PROCTER & GAMBLE (US) 2021-10-13 EP disclosed
US-11078366-B2 Bis-azo colorants for use as bluing agents MILLIKEN & COMPANY (US) 2021-08-03 US disclosed
CN-111548649-B Disazo colorants for use as bluing agents 美利肯公司 2021-07-06 CN disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
CN-111548649-A Disazo colorants for use as bluing agents 美利肯公司 2020-08-18 CN disclosed
CN-108059618-B Polyfluoropyrimidine-containing aryl amidine compound, and preparation method and application thereof 浙江省化工研究院有限公司 2020-07-07 CN disclosed
CN-108473788-B Disazo colorants for use as bluing agents 美利肯公司 2020-05-01 CN disclosed
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed
US-4975456-A For inhibiting intestinal absorption of cholesterol and increasing high density lipoprotein WARNER-LAMBERT COMPANY (US) 1990-12-04 US disclosed
US-4882357-A ANTICHOLESTEROL AGENT; INCREASES HIGH DENSITY LIPOPROTEINS WARNER-LAMBERT COMPANY (US) 1989-11-21 US disclosed
US-4880838-A INSECTICIDES RHONE-POULENC (NL) 1989-11-14 US disclosed
EP-0215841-B1 PESTICIDAL 1-(4-PHENOXYPHENYL)-3-BENZOYL UREA COMPOUNDS AND PROCESS FOR PREPARATION RHONE-POULENC NEDERLAND B.V. (NL) 1988-11-17 EP disclosed
EP-0215841-A1 PESTICIDAL 1-(4-PHENOXYPHENYL)-3-BENZOYL UREA COMPOUNDS AND PROCESS FOR PREPARATION. UNION CARBIDE CORP (US) 1987-04-01 EP disclosed
WO-1986005780-A1 PESTICIDAL 1-(4-PHENOXYPHENYL)-3-BENZOYL UREA COMPOUNDS AND PROCESS FOR PREPARATION UNION CARBIDE CORPORATION (US) 1986-10-09 WO disclosed
US-4487975-A Etherification of phenols RHONE-POULENC INDUSTRIES (FR) 1984-12-11 US disclosed
US-4104269-A Methoxymethoxy protected intermediates for photographic dyes POLAROID CORPORATION (US) 1978-08-01 US disclosed
US-4035401-A Intermediates for photographic dyes POLAROID CORPORATION (US) 1977-07-12 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN GPR35 3376/4885ALDH1A1 649/4885TSHR 4824/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN GPR35 3376/4885ALDH1A1 649/4885TSHR 4824/4885

“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.