SCHEMBL644469

SCHEMBL644469

O=[N+]([O-])c1[c]ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 1/20 0.47
TSHR P16473 3/20 0.46
HPRT1 P00492 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
HNF4A P41235 3/20 0.41
RXRA P19793 1/20 0.41
CASP6 P55212 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S100A4 P26447 1/20 0.37
CYP2A6 P11509 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
CTSB P07858 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL9516590 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRHPRT1TDP1
SCHEMBL5604304 0.77 LMNA (0.31) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL8563538 0.73 POLB (0.54) ALDH1A1CYP3A4TSHRTDP1CASP6
SCHEMBL11638054 0.71 TSHR (0.45) ALDH1A1CYP3A4TSHRHPRT1TDP1
SCHEMBL3277949 0.70 LMNA (0.33) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL20507044 0.70 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRHPRT1TDP1
SCHEMBL114219 0.69 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRHPRT1TDP1
SCHEMBL7176807 0.68 CYP3A4 (0.66) ALDH1A1CYP3A4TSHRHPRT1TDP1
SCHEMBL57184 0.68 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHPRT1TDP1
SCHEMBL27780773 0.68 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRHPRT1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3988144-A SULFOLANE OR SULFOLENE TIN SUBSTITUTED THE PROCTER & GAMBLE COMPANY (US) 1976-10-26 US claimed
CN-107315318-B Photosensitive composition 东京应化工业株式会社 2022-07-01 CN disclosed
US-10251396-B2 Amide compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-09 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed
EP-3178322-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company Limited (JP) 2017-06-14 EP disclosed
CN-106659161-A Amide compound and use of same for noxious arthropod control 住友化学株式会社 2017-05-10 CN disclosed
US-9611502-B2 Method for simultaneously measuring activity of various enzymes by using multi-wavelength absorption single channel CHONGQING MEDICAL UNIVERSITY (CN) 2017-04-04 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
EP-0347381-A1 Unsaturated beta-ketoesteracetals and their applications CIBA-GEIGY AG (CH) 1989-12-20 EP disclosed
US-4818899-A DIRECTING LASER RADIATION ONTO A N-ARYL CARBAMYL COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-04-04 US disclosed
EP-0271251-A1 Second harmonic generation by carbamic acid derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-06-15 EP disclosed
US-4263394-A Aqueous alkaline soluble photopolymerizable material VICKERS LIMITED (GB) 1981-04-21 US disclosed
US-4223071-A ANTITRACKING ADDITIVES, RESISTANCE TO HIGH VOLTAGE ERROSION RAYCHEM CORPORATION (US) 1980-09-16 US disclosed
US-4219607-A High voltage insulating compositions containing phosphorus compounds RAYCHEM CORPORATION (US) 1980-08-26 US disclosed
US-4198310-A High voltage insulating compositions containing organic polymerizable phosphorus compounds RAYCHEM CORPORATION (US) 1980-04-15 US disclosed
US-4100089-A High-voltage insulating material comprising anti-tracking and erosion inhibiting compounds with insulating polymers RAYCHEM CORPORATION (US) 1978-07-11 US disclosed
US-4046755-A CELLULOSE ETHERS, POLYAMIDES, POLYURETHANES, ACRYLICS CIBA-GEIGY CORPORATION (US) 1977-09-06 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-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 ALDH1A1 1868/4885CYP3A4 3381/4885TSHR 2116/4885
US-10251396-B2 Amide compound and use of same for noxious arthropod control OPRM1, TRPA1, L3MBTL3 ALDH1A1 1868/4885CYP3A4 3381/4885TSHR 2116/4885

“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.