SCHEMBL4640407

SCHEMBL4640407

COc1cc(-c2ccc([N+](=O)[O-])cc2C(=O)O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
TUBB4A P04350 4/20 0.50
TUBB P07437 4/20 0.50
TUBA3C P0DPH7 4/20 0.50
TUBA1B P68363 4/20 0.50
TUBA4A P68366 4/20 0.50
TUBB4B P68371 4/20 0.50
TUBB3 Q13509 4/20 0.50
TUBB2A Q13885 4/20 0.50
TUBB8 Q3ZCM7 4/20 0.50
TUBA3E Q6PEY2 4/20 0.50
TUBA1A Q71U36 4/20 0.50
TUBA1C Q9BQE3 4/20 0.50
TUBB6 Q9BUF5 4/20 0.50
TUBB2B Q9BVA1 4/20 0.50
TUBB1 Q9H4B7 4/20 0.50
PTGS2 P35354 1/20 0.49
KRAS P01116 2/20 0.48
HTT P42858 2/20 0.48
CTSV O60911 1/20 0.48

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
SCHEMBL4640437 0.84 MAPT (0.54) PKMPTGS2HTTMAPTALDH1A1
SCHEMBL6716574 0.83 ANO1 (0.50) PKMHTTCTSVCTSLMAPT
SCHEMBL6716569 0.83 ANO1 (0.50) PKMHTTCTSVCTSLMAPT
SCHEMBL27495943 0.82 LMNA (0.48) PKMCTSVCTSLMAPTALDH1A1
SCHEMBL6792388 0.81 ALDH1A1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1671926 0.80 CTSV (0.60) PKMHTTCTSVCTSLMAPT
SCHEMBL4602879 0.80 KDM4E (0.59) MAPTALDH1A1
SCHEMBL9192295 0.79 CTSV (0.59) PKMHTTCTSVCTSLMAPT
SCHEMBL10757843 0.79 PKM (0.63) PKMPTGS2KRASHTTCTSV
SCHEMBL15486506 0.79 CTSV (0.59) PKMHTTCTSVCTSLMAPT

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 PKM 4650/4885TUBB4A 522/4885TUBB 732/4885
US-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 PKM 4761/4885TUBB4A 2523/4885TUBB 2712/4885
US-20020042414-A1 Diamide compound and medicine containing the same HRH4, HRH2, HRH1 PKM 3494/4885TUBB4A 1824/4885TUBB 2033/4885

“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.