SCHEMBL6009928

SCHEMBL6009928

O=c1c2c(n(-c3cccc(Cl)c3)c3ncccc13)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.42
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HTR6 P50406 2/20 0.39
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
GAA P10253 1/20 0.37
FEN1 P39748 1/20 0.37
PDE4A P27815 1/20 0.36
TSHR P16473 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
SCHEMBL30438257 1.00 MAPT (0.49) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9132456 0.85 MAPT (0.47) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9133313 0.85 CYP2C19 (0.45) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9130617 0.84 PDE4A (0.37) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9132031 0.84 MAPT (0.44) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9535601 0.84 MAPT (0.50) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9132455 0.84 MAPT (0.48) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9134909 0.83 MAPT (0.43) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9131645 0.83 MAPT (0.43) MAPTHPGDCYP2C19MEN1CYP1A2
SCHEMBL9726870 0.83 CYP2C19 (0.47) MAPTHPGDCYP2C19MEN1CYP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810708-A ANTIALLERGY, IMMUNOSUPPRESSIVE SCHERING CORPORATION (US) 1989-03-07 US claimed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-7132441-B2 Immunosuppressive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. (US) 2006-11-07 US disclosed
US-5439916-A Antiallergens,-inflammatory and -ulcer agents; hypotensive agents; immunosuppressants; skin disorders SCHERING CORPORATION (US) 1995-08-08 US disclosed
US-5126352-A Antiallergy, antiinflammatory, antiulcer, hypotensive, antibody inhibitors SCHERING CORPORATION (US) 1992-06-30 US disclosed
US-5116840-A Antiulcer, antiinflammatory, hypotensive, immunosuppressants SCHERING CORPORATION (US) 1992-05-26 US disclosed
US-4988705-A Antiallergens and -inflammatory agents; hypotensive agents immunological suppression; hyperproliferative skin disorders such as psoriasis SCHERING CORPORATION (US) 1991-01-29 US disclosed
US-4810708-A ANTIALLERGY, IMMUNOSUPPRESSIVE SCHERING CORPORATION (US) 1989-03-07 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 (3 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 MAPT 2546/4885HPGD 285/4885CYP2C19 386/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 MAPT 2546/4885HPGD 285/4885CYP2C19 386/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA MAPT 4859/4885HPGD 642/4885CYP2C19 1643/4885

“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.