SCHEMBL28618

SCHEMBL28618

O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 5/20 0.59
TSHR P16473 3/20 0.59
MAPK1 P28482 3/20 0.59
GPR35 Q9HC97 2/20 0.59
TP53 P04637 1/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HIF1A Q16665 1/20 0.59
TXNRD1 Q16881 1/20 0.57
TXNRD3 Q86VQ6 1/20 0.57
TXNRD2 Q9NNW7 1/20 0.57
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPRC P08575 1/20 0.45

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
SCHEMBL3074528 0.83 GPR35 (0.59) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL16347621 0.82 TSHR (0.54) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL11822059 0.82 TSHR (0.52) TDP1ALDH1A1TSHRMAPK1GPR35
Acetophenone SCHEMBL6039972 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1GPR35TP53
SCHEMBL1970698 0.80 CASP6 (0.39) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL29809877 0.79 TDP1 (0.68) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL600206 0.79 TDP1 (0.68) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL5958796 0.77 TDP1 (0.65) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL2036497 0.77 ALDH1A1 (0.57) TDP1ALDH1A1TSHRMAPK1GPR35
SCHEMBL489333 0.77 S100A4 (0.49) TDP1ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675858-A Preparation method of amino-terminated hyperbranched polythioether and prepared internal crosslinking modified polyurethane 扬州市祥华新材料科技有限公司 2023-09-01 CN claimed
CN-111655791-B Pest and ice phobic compositions with fluid additives HRL实验室有限责任公司 2022-11-04 CN claimed
CN-111655791-A Pest and ice phobic compositions with fluid additives HRL实验室有限责任公司 2020-09-11 CN claimed
US-9815809-B2 Formation of chiral 4-chromanones using chiral pyrrolidines in the presence of phenols or thiophenols DSM IP ASSETS B.V. (NL) 2017-11-14 US claimed
EP-3016940-B1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS BV (NL) 2017-04-12 EP claimed
US-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS DSM IP ASSETS B.V. (NL) 2016-06-16 US claimed
EP-1514542-B1 Medicinal composition comprising Tacrine or Donepezil for improving brain function. TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP claimed
US-5120746-A Inhibit gastric acid secretion TOYAMA CHEMICAL CO., LTD. (JP) 1992-06-09 US claimed
US-4643849-A ANTIULCER, ANTISECRETORY AGENTS TOYAMA CHEMICAL CO., LTD. (JP) 1987-02-17 US claimed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US claimed
US-4267340-A BACTERICIDES; SYNTHESIS OF PENICILLINS AND CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-05-12 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3993646-A Process for the ring expansion of penicillins to cephalosporin compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-11-23 US claimed
US-3978063-A 1,2,3,4-Tetrahydroisoquinoline derivatives and the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-08-31 US claimed
CN-117813357-A Phase separated antimicrobial coatings and methods of making and using the same HRL实验室有限责任公司 2024-04-02 CN disclosed
CN-116410114-B 4-nitrobenzene sulfur chlorine amino protecting group and preparation method thereof 南开大学 2024-02-27 CN disclosed
WO-2023249436-A1 TRANSITION METAL COMPLEX AND ELECTROCHEMILUMINESCENCE-BASED HYDROGEN SULFIDE DETECTION SENSOR INCLUDING SAME 한국과학기술연구원 2023-12-28 WO disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 US disclosed
US-3952064-A FROM PHENOL AND SULFUR CHLORIDE, HYDROGEN CHLORIDE CATALYST CROWN ZELLERBACH CORPORATION (US) 1976-04-20 US disclosed
US-3948934-A 2-(Nitromethylene)-1,3-diazacycloalkane insect control agents SHELL OIL COMPANY (US) 1976-04-06 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 (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-20160168111-A1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES IN THE PRESENCE OF PHENOLS OR THIOPHENOLS CYP4B1, CYP4F3, CYP4F2 TDP1 2015/4885ALDH1A1 986/4885TSHR 2008/4885

“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.