SCHEMBL6278486

SCHEMBL6278486

Cc1cccc([N+](=O)[O-])c1S

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.63
▸ TDP1 Q9NUW8 5/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ GPR35 Q9HC97 2/20 0.48
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ S100A4 P26447 1/20 0.42
▸ MGAM O43451 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42
▸ KCNMA1 Q12791 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ RECQL P46063 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
SCHEMBL3071233 0.84 TDP1 (0.61) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL700469 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29538967 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6051840 0.78 TSHR (0.69) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL1970696 0.78 TDP1 (0.54) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL28313474 0.78 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
O-Xylene SCHEMBL27374726 0.78 HSD17B10 (0.82) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL29859415 0.78 HSD17B10 (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL26788 0.78 HSD17B10 (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL146895 0.77 TSHR (1.00) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154348-B1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL CO (JP) 2022-07-27 — — EP disclosed
US-10264789-B2 Rodentia animal repellent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-23 — — US disclosed
US-10264789-B2 Rodentia animal repellent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-04-23 — — US disclosed
CN-106535638-B Rodent repellent 住友化学株式会社 2019-03-08 — — CN disclosed
US-20170118984-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 — — US disclosed
US-20170118984-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 — — US disclosed
US-20170118984-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-04 — — US disclosed
EP-3154348-A1 RODENTIA ANIMAL REPELLENT Sumitomo Chemical Company, Limited (JP) 2017-04-19 — — EP disclosed
CN-106535638-A Rodentia animal repellent 住友化学株式会社 2017-03-22 — — CN disclosed
WO-2015194676-A1 RODENTIA ANIMAL REPELLENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-23 — — WO disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 — — US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 — — EP disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 — — US disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 — — US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 — — US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 — — EP disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 — — EP disclosed
EP-0039312-A1 Colour photopgraphic material for the silver-dye bleaching process, process for the production of this material and its use in the production of photographic images CIBA-GEIGY AG (CH) 1981-11-04 — — EP disclosed
US-4074046-A REACTING NITROGENEOUS COMPOUND WITH CARBON MONOXIDE AMERICAN CYANAMID COMPANY (US) 1978-02-14 — — 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 (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-10264789-B2 Rodentia animal repellent H1-4, HDAC11, HRH4 TSHR 1101/4885SMN1; SMN2 2476/4885HSD17B10 569/4885
US-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 TSHR 3062/4885SMN1; SMN2 4491/4885HSD17B10 2064/4885
US-20170118984-A1 RODENTIA ANIMAL REPELLENT H1-4, HDAC11, HRH4 TSHR 1101/4885SMN1; SMN2 2476/4885HSD17B10 569/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 TSHR 3677/4885SMN1; SMN2 1309/4885HSD17B10 71/4885

“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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