SCHEMBL4640437

SCHEMBL4640437

COc1cc(-c2ccc([N+](=O)[O-])cc2C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 5/20 0.47
HTT P42858 3/20 0.47
ABCB1 P08183 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
THRB P10828 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL4640407 0.84 PKM (0.53) MAPTPKMALDH1A1HTTLMNA
SCHEMBL4640456 0.81 FYN (0.47) MEN1NPC1KMT2AHTT
SCHEMBL7598689 0.77 KMT2A (0.67) MAPTGAAPKMMEN1NPC1
SCHEMBL6792388 0.76 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL7563353 0.76 MEN1 (0.65) MAPTGAAPKMMEN1NPC1
SCHEMBL5569628 0.75 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1ABCB1
Hydrochloric Acid SCHEMBL5573214 0.74 ALDH1A1 (0.47) MAPTKMT2AALDH1A1ABCB1SMN1; SMN2
SCHEMBL12041020 0.73 MEN1 (0.62) MAPTGAAPKMMEN1NPC1
SCHEMBL28203097 0.73 KCNA3 (0.58) MAPTGAAMEN1NPC1KMT2A
SCHEMBL6716577 0.72 HTT (0.46) MAPTGAAPKMMEN1KMT2A

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 MAPT 1936/4885GAA 1609/4885PKM 4650/4885

“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.