SCHEMBL103341

SCHEMBL103341

O=[N+]([O-])c1cc(F)cc(Cl)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.65
TTR P02766 5/20 0.50
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 2/20 0.43

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
SCHEMBL3286500 0.86 GPR35 (0.61) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL31226260 0.80 ALDH1A1 (0.50) GPR35ALDH1A1CYP3A4TDP1HPGD
SCHEMBL2078816 0.80 TTR (0.57) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL3858194 0.80 TTR (0.67) GPR35TTRALDH1A1CYP3A4KDM4E
SCHEMBL9847876 0.80 TSHR (0.44) GPR35ALDH1A1CYP3A4TDP1HPGD
SCHEMBL310420 0.80 GPR35 (0.69) GPR35TTRALDH1A1CYP3A4KDM4E
SCHEMBL30807397 0.78 GPR35 (1.00) GPR35TTRALDH1A1CYP3A4KDM4E
SCHEMBL2165473 0.78 GPR35 (1.00) GPR35TTRALDH1A1CYP3A4KDM4E
SCHEMBL13113132 0.78 TTR (0.51) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL3207603 0.77 GPR35 (0.44) GPR35TTRALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4031249-A TREMATODES, NEMATODES, FASCIOLA SP ICI AUSTRALIA LIMITED (AU) 1977-06-21 US claimed
EP-3080115-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-05-08 EP disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
EP-3080115-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 US disclosed
WO-2015086506-A1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 WO disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
CN-1325267-A Fused-benzene derivatives useful as herbicides ISHIHARA SANGYO KAISHA (JP) 2001-12-05 CN disclosed
EP-1111993-A1 FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-07-04 EP disclosed
US-6162790-A OLIGOPEPTIDES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-19 US disclosed
WO-2000013508-A1 FUSED-BENZENE DERIVATIVES USEFUL AS HERBICIDES ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-03-16 WO disclosed
CN-1207743-A Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMA (US) 1999-02-10 CN disclosed
US-5843904-A Inhibitors of interleukin-1βconverting enzyme VERTEX PHARMACEUTICALS, INC. (US) 1998-12-01 US disclosed
EP-0876395-A1 INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME Vertex Pharmaceuticals Incorporated (US) 1998-11-11 EP disclosed
WO-1997022618-A1 INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-06-26 WO disclosed
US-4031249-A TREMATODES, NEMATODES, FASCIOLA SP ICI AUSTRALIA LIMITED (AU) 1977-06-21 US disclosed
US-4031249-A TREMATODES, NEMATODES, FASCIOLA SP ICI AUSTRALIA LIMITED (AU) 1977-06-21 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 (2 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GPR35 36/4885TTR 4391/4885ALDH1A1 2153/4885
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 GPR35 1405/4885TTR 1703/4885ALDH1A1 1610/4885

“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.