SCHEMBL392484

SCHEMBL392484

Nc1ccc([N+](=O)[O-])cc1S

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.61
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 4/20 0.59
TSHR P16473 3/20 0.57
GAA P10253 1/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.53
ALOX15 P16050 2/20 0.52
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
GFER P55789 1/20 0.46
POLB P06746 1/20 0.45
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
RAB9A P51151 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KDM4E B2RXH2 1/20 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
SCHEMBL2242020 0.85 CYP3A4 (0.60) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL5973685 0.83 CYP3A4 (0.58) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL27518040 0.83 CYP3A4 (0.58) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL27543233 0.83 CYP3A4 (0.58) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL11822059 0.82 TSHR (0.52) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL29353815 0.79 CYP3A4 (0.69) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL78293 0.79 CYP3A4 (0.69) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL3074528 0.78 GPR35 (0.59) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL790761 0.78 TDP1 (0.61) TDP1ALDH1A1CYP3A4TSHRGAA
Methane SCHEMBL28785435 0.77 CYP3A4 (0.67) TDP1ALDH1A1CYP3A4TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110286112-B Raman probe and preparation method and application thereof 上海交通大学 2022-01-14 CN claimed
CN-110286112-A A kind of Raman microprobe and its preparation method and application 上海交通大学 2019-09-27 CN claimed
WO-2019179386-A1 RAMAN PROBE, AND MANUFACTURING METHOD AND APPLICATION THEREOF 上海交通大学 2019-09-26 WO claimed
CN-102786532-B Sulfur heterocyclic compound and preparation process thereof UNIV BEIJING FORESTRY 2015-06-03 CN claimed
CN-102786532-A Sulfur heterocyclic compound and preparation process thereof UNIV BEIJING FORESTRY 2012-11-21 CN claimed
JP-10237058-A None JP disclosed
JP-10237052-A None JP disclosed
CN-115322461-B Rubber tube suitable for hydraulic transmission under mine and preparation method thereof 青岛橡六胶管有限公司 2023-08-08 CN disclosed
CN-110475775-B 4-pyridone compound or salt thereof, pharmaceutical composition containing 4-pyridone compound, and agent 富士胶片株式会社 2023-05-09 CN disclosed
CN-115322461-A Rubber tube suitable for hydraulic transmission under mine and preparation method thereof 青岛橡六胶管有限公司 2022-11-11 CN disclosed
CN-110286112-B Raman probe and preparation method and application thereof 上海交通大学 2022-01-14 CN disclosed
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 US disclosed
US-5739344-A Preparation of an aminoarylaminoarazole THE DOW CHEMICAL COMPANY (US) 1998-04-14 US disclosed
US-4247629-A FOR DIFFUSION TRANSFER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-01-27 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 US disclosed
US-4066637-A BASIC DIAMINOPYRIDINE-(3)-AZO DYESTUFFS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 US disclosed
US-3962438-A Anti-arthritic 1H-pyrimido-(5,4,3-kl)phenothiazine-1,3(2H)-diones and 1-thiones SMITHKLINE CORPORATION (US) 1976-06-08 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 (1 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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB TDP1 3282/4885ALDH1A1 2347/4885CYP3A4 161/4885

“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.