SCHEMBL4640439

SCHEMBL4640439

COc1cc(-c2cncc(C(=O)N(C)CCCCCCN(C)C(=O)c3cncc(-c4cc(OC)c(OC)c(OC)c4)c3)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
CYP11B2 P19099 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 2/20 0.40
PMP22 Q01453 1/20 0.40
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACVR1B P36896 1/20 0.37

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
SCHEMBL5418318 0.81 CYP1A2 (0.47) KMT2AABL1HSD17B10ACVR1BTGFBR1
SCHEMBL4640360 0.77 CYP1A1 (0.49) CYP11B2CYP3A4L3MBTL1ACVR1BTGFBR1
SCHEMBL4116440 0.74 CYP2C9 (0.55) KMT2ACYP11B2CYP3A4MEN1HSD17B10
SCHEMBL12190876 0.72 FYN (0.59) KMT2AMEN1L3MBTL1FYN
SCHEMBL6787799 0.69 POLB (0.53) KMT2AMEN1L3MBTL1TGFBR1ACVR1
Benzene SCHEMBL27454328 0.69 SCN1A (0.44) KMT2ACYP3A4CYP2D6THPOMTOR
SCHEMBL9750679 0.69 SCN1A (0.49) KMT2ACYP3A4CYP2D6THPOMTOR
SCHEMBL5573134 0.68 GAA (0.49) KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL9750696 0.68 SCN1A (0.48) KMT2ACYP3A4CYP2D6THPOMTOR
SCHEMBL5430912 0.68 LMNA (0.51) KMT2ACYP11B2CYP3A4MEN1

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 5 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
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 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-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 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 (1 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 KMT2A 843/4885CYP11B2 824/4885CYP3A4 482/4885

“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.