SCHEMBL313581

SCHEMBL313581

O=[C]Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HPGD P15428 1/20 0.70
TSHR P16473 1/20 0.60
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH3A1 P30838 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL3237701 0.83 ALDH1A1 (0.55) ALDH1A1HPGDTSHRALDH3A1HTT
SCHEMBL3834393 0.83 ALDH1A1 (0.50) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL181041 0.82 ALDH1A1 (1.00) ALDH1A1HPGDTSHRALDH3A1HTT
SCHEMBL11324897 0.82 ALDH1A1 (0.68) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL7212267 0.82 ALDH1A1 (0.68) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL876142 0.82 ALDH1A1 (0.58) ALDH1A1HPGDTSHRALDH3A1HTT
SCHEMBL3202573 0.81 ALDH1A1 (0.72) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL11688945 0.79 ALDH1A1 (0.64) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL3121140 0.79 ALDH1A1 (0.64) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL301933 0.79 ALDH1A1 (0.69) ALDH1A1HPGDTSHRMEN1KMT2A

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 1171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115583933-B Preparation method of high-purity tetrahydrocannabinoid homolog 暨明医药科技(苏州)有限公司 2024-02-06 CN claimed
CN-115583933-A Preparation method of high-purity tetrahydrocannabinoid homolog 暨明医药科技(苏州)有限公司 2023-01-10 CN claimed
CN-106349310-B The preparation method of emamectin-benzoate 内蒙古嘉宝仕生物科技股份有限公司 2019-06-11 CN claimed
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
CN-106349310-A Preparation method of emamectin benzoate 内蒙古嘉宝仕生物科技股份有限公司 2017-01-25 CN claimed
US-9403863-B2 Substituted carbonyloxymethylphosphoramidate compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS LLC (US) 2016-08-02 US claimed
EP-1829872-B1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-07-29 EP claimed
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
CN-101468964-B Processes for producing indole compound NISSAN CHEMICAL IND LTD 2011-05-11 CN claimed
US-20100197938-A1 Process for producing indole compoud NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-05 US claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
WO-1991008840-A1 AUTODEPOSITION EMULSION FOR SELECTIVELY PROTECTING METALLIC SURFACES W.R. GRACE & CO.-CONN. (US) 1991-06-27 WO claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
US-4857437-A Process for the formation of an image CIBA-GEIGY CORPORATION (US) 1989-08-15 US claimed
EP-0177453-B1 IMAGE-PRODUCING PROCESS CIBA-GEIGY AG (CH) 1987-12-16 EP claimed
US-4632891-A Process for the production of images CIBA-GEIGY CORPORATION (US) 1986-12-30 US claimed
EP-0177453-A2 Image-producing process CIBA-GEIGY AG (CH) 1986-04-09 EP claimed
US-4218463-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-19 US claimed
US-4178445-A 7-(α-Substituted glycinamido)-3-substituted methyl-3-cephem-4-carboxylic acids and their derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-12-11 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 (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-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 ALDH1A1 2595/4885HPGD 2676/4885TSHR 2769/4885
US-20100197938-A1 Process for producing indole compoud IDO1, IDO2, NOS2 ALDH1A1 2357/4885HPGD 143/4885TSHR 1679/4885

“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.