SCHEMBL454516

SCHEMBL454516

CN(CCCC(=O)c1cccnc1)N=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PLOD2 O00469 2/20 0.48
KMT2A Q03164 1/20 0.45
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
ALDH1A1 P00352 3/20 0.42
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL29367901 1.00 HDAC1 (0.53) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL420028 0.96 HDAC1 (0.50) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL20897346 0.96 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL19958136 0.88 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL14443343 0.84 HDAC1 (0.57) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL5484016 0.83 HDAC1 (0.42) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL19582860 0.83 HDAC1 (0.56) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL18106043 0.82 HDAC1 (0.52) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL3210526 0.81 HDAC1 (0.61) HDAC1HDAC8PLOD2KMT2APLOD3
SCHEMBL3933153 0.80 HDAC1 (0.50) HDAC1HDAC8PLOD2KMT2APLOD3

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 1800 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12638424-B2 Method for determining tobacco-specific nitrosamines (TSNAs) in cigarette smoke using one-step clean-up coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) YUNNAN ACADEMY OF TOBACCO AGRICULTURAL SCIENCES (CN) 2026-05-26 US claimed
US-12628862-B2 Liquid tobacco extract, method for making and aerosol-generating articles comprising such PHILIP MORRIS PRODUCTS S.A. (CH) 2026-05-19 US claimed
EP-2935588-B1 TOBACCO SPECIFIC NITROSAMINE REDUCTION IN PLANTS PHILIP MORRIS PRODUCTS SA (CH) 2026-03-25 EP claimed
US-20260026543-A1 TOBACCO FLAVOURED DRY POWDER FORMULATION PHILIP MORRIS PRODUCTS SA (CH) 2026-01-29 US claimed
EP-4684652-A1 AEROSOL GENERATING MATERIAL Nicoventures Trading Limited (GB) 2026-01-28 EP claimed
US-20250388918-A1 TOBACCO HAVING ALTERED LEAF PROPERTIES AND METHODS OF MAKING AND USING ALTRIA CLIENT SERVICES LLC (US) 2025-12-25 US claimed
EP-4311440-B1 FIBROUS FILTRATION MATERIAL FOR ELECTRONIC SMOKING ARTICLE RAI STRATEGIC HOLDINGS INC (US) 2025-07-02 EP claimed
US-12195738-B2 Method for modifying alkaloid content in plants BRITISH AMERICAN TOBACCO (INVESTMENTS) LIMITED (GB) 2025-01-14 US claimed
US-20250011803-A1 Composition and Methods for Producing Tobacco Plants and Products Having Reduced Tobacco-Specific Nitrosamines (TSNAs) ALTRIA CLIENT SERVICES LLC (US) 2025-01-09 US claimed
US-12129474-B2 Composition and methods for producing tobacco plants and products having reduced tobacco-specific nitrosamines (TSNAs) ALTRIA CLIENT SERVICES LLC (US) 2024-10-29 US claimed
WO-2002037990-A2 METHOD AND PRODUCT FOR REMOVING CARCINOGENS FROM TOBACCO SMOKE VECTOR TOBACCO LTD. (BM) 2002-05-16 WO claimed
WO-2002028209-A1 REDUCTION OF NITROSAMINES IN TOBACCO AND TOBACCO PRODUCTS BASKEVITCH NICOLAS (US) 2002-04-11 WO claimed
US-6338348-B1 PREVENTING FORMATION OF OF 4-(N-NITROSOMETHYLAMINO) 1-(3-PYRIDYL-1-BUTANONE ON TOBACCO LEAVES REGENT COURT TECHNOLOGIES 2002-01-15 US claimed
US-6311695-B1 Method of treating tobacco to reduce nitrosamine content, and products produced thereby REGENT COURT TECHNOLOGIES 2001-11-06 US claimed
US-6135121-A CURED YELLOW TOBACCO FREE OF ORGANIC LIQUIDS FOR EXTRACTION OF EXPANDED ORGANIC MATERIALS AND HAVING A COLLECTIVE CONTENT OF N'-NITROSO-NORNICOTINE, 4-(N-NITROSOMETHYLAMINO)-1-(3-PYRIDYL)-1-BUTANONE, REGENT COURT TECHNOLOGIES (US) 2000-10-24 US claimed
EP-0967898-A4 METHOD OF TREATING TOBACCO TO REDUCE NITROSAMINE CONTENT, AND PRODUCTS PRODUCED THEREBY WILLIAMS JONNIE R (US) 2000-01-05 EP claimed
EP-0967898-A1 METHOD OF TREATING TOBACCO TO REDUCE NITROSAMINE CONTENT, AND PRODUCTS PRODUCED THEREBY Williams, Jonnie R. (US) 2000-01-05 EP claimed
US-5803081-A Tobacco and related products REGENT COURT TECHNOLOGIES (US) 1998-09-08 US claimed
WO-1998005226-A9 METHOD OF TREATING TOBACCO TO REDUCE NITROSAMINE CONTENT, AND PRODUCTS PRODUCED THEREBY 1998-07-02 WO claimed
WO-1998005226-A1 METHOD OF TREATING TOBACCO TO REDUCE NITROSAMINE CONTENT, AND PRODUCTS PRODUCED THEREBY WILLIAMS JONNIE R (US) 1998-02-12 WO 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 (4 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-12628862-B2 Liquid tobacco extract, method for making and aerosol-generating articles comprising such NDUFB10, EXOSC10, NDUFB7 HDAC1 2421/4885HDAC8 2136/4885PLOD2 3122/4885
US-20260026543-A1 TOBACCO FLAVOURED DRY POWDER FORMULATION CTNND1, IL17A, TAS2R20 HDAC1 2881/4885HDAC8 3436/4885PLOD2 2869/4885
US-12638424-B2 Method for determining tobacco-specific nitrosamines (TSNAs) in cigarette smoke using one-step clean-up coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS) TYMS, NNMT, SRMS HDAC1 3468/4885HDAC8 1995/4885PLOD2 1630/4885
US-20250388918-A1 TOBACCO HAVING ALTERED LEAF PROPERTIES AND METHODS OF MAKING AND USING PRPF40A, UPF1, SLIRP HDAC1 4348/4885HDAC8 3175/4885PLOD2 706/4885

“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.