SCHEMBL4852971

SCHEMBL4852971

CS(=O)(=O)OCCc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
AOC3 Q16853 1/20 0.43
IDO1 P14902 3/20 0.40
KCNH2 Q12809 1/20 0.40
PNMT P11086 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTR3E A5X5Y0 1/20 0.39

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
SCHEMBL5098194 0.90 ALDH1A1 (0.45) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL1960375 0.87 KDM4E (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL9830432 0.86 TAAR1 (0.49) TAAR1IDO1PNMTALDH1A1KDM4E
SCHEMBL23673374 0.83 AKR1B1 (0.40) PTGES2ALDH1A1KDM4EUSP2LMNA
SCHEMBL7155961 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL31035381 0.82 TAAR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL10962586 0.81 IDO1 (0.52) TAAR1IDO1PNMTMAPK1HPGD
Benzene SCHEMBL27441781 0.81 CA1 (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL29003472 0.81 TAAR1 (0.44) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL4857267 0.80 TAAR1 (0.44) TAAR1HPGDALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 EP disclosed
EP-3436445-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2019-02-06 EP disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 US disclosed
WO-2017161033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 WO disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 US disclosed
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-07 US disclosed
EP-2845851-A1 PIPERIDINE COMPOUND AND PEST-CONTROL USE THEREFORE Sumitomo Chemical Company Limited (JP) 2015-03-11 EP disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7211577-B2 Water-soluble phenylpyridazine derivative and medicine containing the same KOWA CO., LTD. (JP) 2007-05-01 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases KOWA CO., LTD. (JP) 2006-06-29 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
EP-1604984-A1 WATER-SOLUBLE PHENYLPYRIDAZINE DERIVATIVE AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
CN-1589153-A Prevention or treatment of urinary disorders TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-03-02 CN disclosed
US-6861428-B2 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2005-03-01 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same KOWA CO., LTD. (JP) 2004-01-01 US disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 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 (6 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885SLC6A2 269/4885SLC6A4 790/4885
US-20060142292-A1 4-(4-tert-butoxycarbonyl-1-piperazinyl)methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one;inhibiting interleukin-1 beta, high water solubility and oral absorbability; treating immune system diseases, inflammatory diseases, and ischemic diseases IL1B, IL1A, IL1R1 TAAR1 2597/4885SLC6A2 3632/4885SLC6A4 2943/4885
US-20040002497-A1 Water-soluble phenylpyridazine compounds and compositions containing the same IL1A, IL1B, IL1R1 TAAR1 3873/4885SLC6A2 3516/4885SLC6A4 2834/4885
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B TAAR1 3978/4885SLC6A2 4750/4885SLC6A4 4685/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885SLC6A2 269/4885SLC6A4 790/4885
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL ZYX, CXXC5, CNBP TAAR1 110/4885SLC6A2 4584/4885SLC6A4 4475/4885

“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.