SCHEMBL131765

SCHEMBL131765

O=[C]Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
RAPGEF4 Q8WZA2 1/20 0.46
XPO1 O14980 2/20 0.43
GPR35 Q9HC97 1/20 0.42
P2RX1 P51575 7/20 0.42
LMNA P02545 1/20 0.42
CES2 O00748 1/20 0.41
ACP1 P24666 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
TACR1 P25103 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL5462403 0.86 GPR35 (0.41) MAPTRAPGEF4GPR35P2RX1LMNA
SCHEMBL5457581 0.82 HDAC3 (0.47) MAPTRAPGEF4P2RX1TMPRSS4AKR1C3
SCHEMBL7685858 0.81 MAPT (0.44) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL227215 0.79 MAPT (0.53) MAPTRAPGEF4CES2
SCHEMBL5538125 0.77 RAPGEF4 (0.41) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL338150 0.77 MAPT (0.41) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL14471513 0.77 GABRA1 (0.41) MAPTRAPGEF4
SCHEMBL423701 0.77 EPHX2 (0.52) CES2
SCHEMBL8795017 0.72 MAPT (0.48) MAPTRAPGEF4XPO1GPR35P2RX1
SCHEMBL394467 0.72 RAPGEF4 (0.59) MAPTRAPGEF4XPO1GPR35P2RX1

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 51 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-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US claimed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 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
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US claimed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 US claimed
CN-109475516-A Crystal 埃罗米克斯公司 2019-03-15 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
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 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
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-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US disclosed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 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 MAPT 2581/4885RAPGEF4 1850/4885XPO1 726/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 MAPT 2536/4885RAPGEF4 4484/4885XPO1 814/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA MAPT 1/4885RAPGEF4 4427/4885XPO1 3661/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR MAPT 2469/4885RAPGEF4 4541/4885XPO1 839/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR MAPT 2415/4885RAPGEF4 4479/4885XPO1 822/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA MAPT 3082/4885RAPGEF4 4435/4885XPO1 177/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MAPT 2435/4885RAPGEF4 2215/4885XPO1 2079/4885

“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.