SCHEMBL4298089

SCHEMBL4298089

O=[N+]([O-])c1cc(S)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 12/20 0.56
▸ TDP1 Q9NUW8 1/20 0.50
▸ MAPK1 P28482 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 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
SCHEMBL3500735 0.83 TSHR (0.64) VCAM1TDP1MAPK1TSHRMAPT
SCHEMBL8316198 0.79 VCAM1 (0.56) VCAM1TDP1MAPK1TSHRNPBWR1
SCHEMBL14924313 0.79 VCAM1 (0.56) VCAM1TDP1MAPK1TSHRNPBWR1
SCHEMBL29394047 0.78 MAPK1 (0.69) VCAM1TDP1MAPK1TSHR
SCHEMBL1970698 0.78 CASP6 (0.39) TDP1MAPK1TSHRMAPTHSD17B10
SCHEMBL5992360 0.78 VCAM1 (0.60) VCAM1TDP1MAPK1TSHRMAPT
SCHEMBL358730 0.78 MAPK1 (0.69) VCAM1TDP1MAPK1TSHR
Dinitrochlorobenzene SCHEMBL39251 0.77 HSD17B10 (0.69) VCAM1TDP1MAPK1TSHRHSD17B10
Dinitrochlorobenzene SCHEMBL20472381 0.77 HSD17B10 (0.69) VCAM1TDP1MAPK1TSHRHSD17B10
Dinitrochlorobenzene SCHEMBL29349476 0.77 HSD17B10 (0.69) VCAM1TDP1MAPK1TSHRHSD17B10

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968838-B Thiobenzopyran compound and application thereof in treatment of rheumatoid arthritis 华创合成制药股份有限公司 2024-04-02 — — CN disclosed
EP-1939204-B3 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2022-08-24 — — EP disclosed
CN-113968838-A Thiobenzopyran compound and application thereof in treatment of rheumatoid arthritis 华创合成制药股份有限公司 2022-01-25 — — CN disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
US-9040693-B2 Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 — — US disclosed
EP-1939204-B1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2013-01-02 — — EP disclosed
CN-101331134-B Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL 2012-11-28 — — CN disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
US-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
CN-101331134-A Fused heterocyclic derivative, medicinal composition containing the same, and medicinal use thereof KISSEI PHARMACEUTICAL (JP) 2008-12-24 — — CN disclosed
EP-1939204-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 — — EP 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-20090325900-A1 FUSED HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF SHBG, CYP19A1, NR5A1 VCAM1 3198/4885TDP1 4552/4885MAPK1 4653/4885

“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.

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