SCHEMBL330232

SCHEMBL330232

CCOC(=O)c1s[c]nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
HSP90AA1 P07900 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
DHODH Q02127 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
IDO1 P14902 1/20 0.37
CDC7 O00311 2/20 0.37
DBF4 Q9UBU7 2/20 0.37

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
SCHEMBL330112 0.86 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL971952 0.78 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKMT2ACYP1A2
SCHEMBL9842107 0.77 ALDH1A1 (0.50) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL27872725 0.76 POLB (0.33) MAPTDHODHPOLB
SCHEMBL2439830 0.76 GPR35 (0.33) MAPTPOLB
SCHEMBL2442977 0.76 LMNA (0.49) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL8507216 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL2145779 0.73 ALDH1A1 (0.54) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL330020 0.73 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL6137641 0.72 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102942565-A 3,4-dichloro isothiazole derivatives, their preparation method and application JIANGXI TIANREN ECOLOGY CO LTD 2013-02-27 CN claimed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN claimed
CN-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 CN claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
CN-102942565-B One class 3,4-dichloro Isothizole derivatives and its production and use JIANGXI TIANREN ECOLOGY CO., LTD. (CN) 2016-01-27 CN disclosed
CN-102942565-A 3,4-dichloro isothiazole derivatives, their preparation method and application JIANGXI TIANREN ECOLOGY CO LTD 2013-02-27 CN disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
US-5977182-A O-benzyl oxime ether derivatives and their use as pesticides NOVARTIS FINANCE CORPORATION (US) 1999-11-02 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 (7 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA KDM4E 3977/4885ALDH1A1 2096/4885HPGD 240/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KDM4E 3953/4885ALDH1A1 563/4885HPGD 238/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KDM4E 1378/4885ALDH1A1 557/4885HPGD 2321/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KDM4E 3953/4885ALDH1A1 563/4885HPGD 238/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA KDM4E 2199/4885ALDH1A1 425/4885HPGD 647/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KDM4E 2305/4885ALDH1A1 140/4885HPGD 57/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB KDM4E 3631/4885ALDH1A1 1025/4885HPGD 245/4885

“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.