SCHEMBL329801

SCHEMBL329801

FC(F)(F)c1n[c]sc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
POLB P06746 2/20 0.37
MAPT P10636 4/20 0.36
TSHR P16473 2/20 0.36
ENPP1 P22413 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TDO2 P48775 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL468072 0.74 METAP2 (0.33) KIF11MAPTCYP1A2CYP2C19ALDH1A1
SCHEMBL15090698 0.74 ALOX5 (0.36) MAPTLMNACYP1A2CYP2C19CYP2C9
SCHEMBL330399 0.71 ALDH1A1 (0.44) MAPTLMNAHTTCYP1A2CYP2C19
SCHEMBL468174 0.69 ALOX5 (0.41) MAPTLMNAHTTNPSR1CYP1A2
SCHEMBL557949 0.69 KDM4E (0.36) MAPTLMNAHTTCYP1A2CYP2C19
SCHEMBL11133162 0.69 TDO2 (0.53) KIF11POLBMAPTTSHRENPP1
SCHEMBL10000412 0.69 KIF11 (0.44) KIF11POLBMAPTTSHRENPP1
SCHEMBL3755982 0.67 HSD11B1 (0.48) CYP1A2CYP2C19CYP2C9ALDH1A1L3MBTL1
SCHEMBL332040 0.67 ALDH1A1 (0.58) POLBMAPTENPP1LMNAHTT
SCHEMBL5949961 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101125138-A Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2008-02-20 CN 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
US-20060280894-A1 Metal complexes as light-absorbing compounds in the information layer of optical data carriers LANXESS DEUTSCHLAND GMBH (DE) 2006-12-14 US claimed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
CN-1748004-A Azo metal dyes and optical data carriers containing such azo metal dyes as light-absorbing compounds in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2006-03-15 CN claimed
EP-1599548-A1 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS Deutschland GmbH (DE) 2005-11-30 EP claimed
EP-1597321-A1 AZO METAL DYES AND OPTICAL DATA CARRIER CONTAINING ONE SUCH AZO METAL DYE AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER LANXESS Deutschland GmbH (DE) 2005-11-23 EP claimed
WO-2004072185-A1 AZO METAL DYES AND OPTICAL DATA CARRIER CONTAINING ONE SUCH AZO METAL DYE AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
WO-2004072184-A1 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 KIF11 4578/4885POLB 275/4885MAPT 2581/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KIF11 4810/4885POLB 3109/4885MAPT 2086/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KIF11 4810/4885POLB 3109/4885MAPT 2086/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA KIF11 4342/4885POLB 2533/4885MAPT 1/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KIF11 4555/4885POLB 1349/4885MAPT 3082/4885

“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.