SCHEMBL4640360

SCHEMBL4640360

COc1cc(-c2cncc(C(=O)O)c2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.49
CYP1B1 Q16678 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
TPMT P51580 1/20 0.49
NEK2 P51955 1/20 0.48
HCAR2 Q8TDS4 1/20 0.46
XDH P47989 1/20 0.46
FYN P06241 4/20 0.44
ACVR1B P36896 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
BRD4 O60885 2/20 0.43
BRAF P15056 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
CASP6 P55212 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL4116440 0.81 CYP2C9 (0.55) BRAFCYP2C9CYP2C19L3MBTL1CYP1A2
SCHEMBL5418318 0.80 CYP1A2 (0.47) FYNACVR1BTGFBR1ACVR1BRAF
SCHEMBL27747553 0.80 KMO (0.55) CYP1A1CYP1B1MKNK1MKNK2HCAR2
SCHEMBL3181717 0.79 MKNK1 (0.69) MKNK1MKNK2HCAR2XDHCYP2C9
SCHEMBL12190876 0.78 FYN (0.59) FYNBRD4POLBL3MBTL1
SCHEMBL6787799 0.78 POLB (0.53) TGFBR1ACVR1POLBL3MBTL1CYP1A2
SCHEMBL28134052 0.77 MKNK1 (0.62) MKNK1MKNK2HCAR2XDHCYP2C9
SCHEMBL4640439 0.77 KMT2A (0.47) FYNACVR1BTGFBR1ACVR1BRAF
SCHEMBL2037868 0.77 RXRA (0.64) TPMTNEK2POLBCASP6L3MBTL1
SCHEMBL1812435 0.77 KMO (0.55) CYP1A1CYP1B1MKNK1MKNK2TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
US-6828316-B2 Antiallergens KOWA CO., LTD. (JP) 2004-12-07 US disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
US-20020042414-A1 Diamide compound and medicine containing the same KOWA CO., LTD. (JP) 2002-04-11 US disclosed
US-6340682-B1 FOR THERAPY OF ALLERGIC IMMUNOLOGICAL DISEASE IS SELECTED FROM ASTHMA, ALLERGIC RHINITIS, INFLAMMATORY LARGE BOWEL DISEASE OR CONTACT DERMATITIS KOWA CO., LTD. (JP) 2002-01-22 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 EP disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP disclosed
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 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 (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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 CYP1A1 228/4885CYP1B1 557/4885MKNK1 4347/4885
US-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 CYP1A1 201/4885CYP1B1 189/4885MKNK1 4351/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 CYP1A1 232/4885CYP1B1 370/4885MKNK1 4747/4885

“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.