SCHEMBL3278469

SCHEMBL3278469

N#Cc1ccc(Oc2[c]cc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
CYP19A1 P11511 4/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IL18 Q14116 1/20 0.36

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
SCHEMBL458229 0.80 KIF11 (0.68) KIF11SCN8ASCN10AKDM4ELMNA
SCHEMBL2649760 0.80 L3MBTL1 (0.49) KDM4EMEN1MAPTMAPK1RAB9A
SCHEMBL3278022 0.80 HTR2A (0.43) KIF11SCN8ASCN10ALMNAMEN1
SCHEMBL3282049 0.80 HTR2A (0.43) SCN8ASCN10ACYP19A1PTGDR2KCNH2
SCHEMBL5903663 0.79 TSHR (0.40) KIF11EPHX2MEN1MAPTRAB9A
SCHEMBL15009522 0.79 MAPT (0.52) SCN8ASCN10ALMNAMAPTMAPK1
SCHEMBL6968398 0.73 AR (0.49) KDM4ELMNAPARP15PARP10PARP2
SCHEMBL3277478 0.73 PTPN1 (0.40) KDM4ELMNAMEN1MAPTMAPK1
SCHEMBL6965984 0.72 TSHR (0.40) KDM4ELMNAPARP15PARP10PARP2
SCHEMBL11039112 0.72 KIF11 (0.47) KIF11SCN8ASCN10AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US 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
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
EP-2791121-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-22 EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 US disclosed
WO-2013090227-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-20 WO disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (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 4578/4885SCN8A 2088/4885SCN10A 1920/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA KIF11 4342/4885SCN8A 904/4885SCN10A 1200/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KIF11 4190/4885SCN8A 394/4885SCN10A 293/4885
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 KIF11 3582/4885SCN8A 3249/4885SCN10A 2870/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KIF11 4555/4885SCN8A 1801/4885SCN10A 2349/4885

“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.