SCHEMBL665390

SCHEMBL665390

O=C=Nc1ccc2ccc(N=C=O)c([N+](=O)[O-])c2c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
TYMS P04818 1/20 0.33
TSHR P16473 1/20 0.33
TRPA1 O75762 1/20 0.32
PLAU P00749 1/20 0.30

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
SCHEMBL10896862 0.80 CYP3A4 (0.52) CYP3A4ALDH1A1TDP1TSHRTRPA1
SCHEMBL4575697 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1TDP1TSHRPLAU
SCHEMBL28049512 0.74 TSHR (0.50) CYP3A4ALDH1A1TDP1HPGDTSHR
SCHEMBL14379109 0.73 ALDH1A1 (0.60) CYP3A4ALDH1A1TDP1HPGDTSHR
SCHEMBL28309346 0.73 CYP3A4 (0.44) CYP3A4ALDH1A1TDP1HPGDTSHR
SCHEMBL10593915 0.71 CYP3A4 (0.32) CYP3A4
SCHEMBL9339650 0.69 ALDH1A1 (0.49) CYP3A4ALDH1A1TDP1HPGDTSHR
SCHEMBL1019385 0.69 TDP1 (0.50) CYP3A4ALDH1A1TDP1HPGDPLAU
SCHEMBL3134174 0.69 CYP3A4 (0.41) CYP3A4ALDH1A1TDP1HPGDTSHR
SCHEMBL8862330 0.67 TDP1 (0.52) ALDH1A1TDP1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371504-B2 Use of acrylate copolymers as soil antiredeposition agents and soil release agents in laundry processes BASF SE (DE) 2016-06-21 US claimed
US-20140287974-A1 USE OF ACRYLATE COPOLYMERS AS SOIL ANTIREDEPOSITION AGENTS AND SOIL RELEASE AGENTS IN LAUNDRY PROCESSES BASF SE (DE) 2014-09-25 US claimed
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER BASF SE (DE) 2010-05-27 US claimed
US-20100104610-A1 Color cosmetics comprising a random terpolymer BASF SE (DE) 2010-04-29 US claimed
US-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water DUEVA-KOGANOV OLGA V 2008-10-09 US claimed
EP-0694532-B1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA SC HOLDING AG (CH) 2000-05-31 EP claimed
US-5708119-A POLYURETHANES FOR WATERPROOFING AND OIL REPELLENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-01-13 US claimed
US-5663273-A APPLYING TO IMPART OIL AND WATER REPELLENCY CIBA-GEIGY CORPORATION (US) 1997-09-02 US claimed
EP-0694532-A1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA-GEIGY AG (CH) 1996-01-31 EP claimed
EP-0690039-A2 Poly-perfluoroalkyl-substituted alcohols and acids, and derivatives thereof CIBA-GEIGY AG (CH) 1996-01-03 EP claimed
US-5200493-A Polyurethanes and polythiourethanes; protective coatings; oil repellents; waterproofing; antisoilants CIBA-GEIGY CORPORATION (US) 1993-04-06 US claimed
WO-2023057830-A1 EXTRUDABLE POLYURETHANE ARTICLES AND COMPOSITIONS AND METHODS OF MAKING AND PRINTING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-04-13 WO disclosed
US-11377785-B2 Fluorine-free fibrous treating compositions, treated substrates, and treating methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-07-05 US disclosed
CN-109563339-B Fluorine-free fiber treatment composition, treated substrate, and treatment method 3M创新有限公司 2022-03-01 CN disclosed
CN-111094480-B Polycarbodiimide-containing compositions, methods, and articles 3M创新有限公司 2021-12-28 CN disclosed
US-4097642-A URETHANE-CONTAINING CIBA-GEIGY CORPORATION (US) 1978-06-27 US disclosed
US-4054592-A Urethanes containing two perfluoroalkylthio groups CIBA-GEIGY CORPORATION (US) 1977-10-18 US disclosed
US-4046944-A TEXTILE COATINGS CIBA-GEIGY CORPORATION (US) 1977-09-06 US disclosed
US-4001305-A POLYURETHANES, OIL AND WATER REPELLANT, MOLD-RELEASE CIBA-GEIGY CORPORATION (US) 1977-01-04 US disclosed
US-3935277-A OIL AND WATER REPELLENT INTERMEDIATES CIBA-GEIGY CORPORATION (US) 1976-01-27 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 (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-20080247976-A1 water-resistant cosmetic or dermatological compositions for the UV-photoprotection of human skin and/or hair with enhanced stability to water CUTA, POLR1C, MSH6 CYP3A4 3814/4885ALDH1A1 1282/4885TDP1 798/4885
US-20100129303-A1 SUNSCREEN AND PERSONAL CARE COMPOSITIONS COMPRISING A RANDOM TERPOLYMER MITF, TYR, MSH6 CYP3A4 920/4885ALDH1A1 2271/4885TDP1 3051/4885
US-20100104610-A1 Color cosmetics comprising a random terpolymer CUTA, TYR, MSH6 CYP3A4 2793/4885ALDH1A1 1313/4885TDP1 1703/4885

“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.