SCHEMBL4640436

SCHEMBL4640436

COc1cc(-c2cc(C(=O)NCc3ccc(CNC(=O)c4ccc(F)c(-c5cc(OC)c(OC)c(OC)c5)c4)cc3)ccc2F)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ROCK2 O75116 6/20 0.53
ROCK1 Q13464 6/20 0.53
LMNA P02545 2/20 0.51
DRD2 P14416 1/20 0.51
ACHE P22303 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD3 P35462 1/20 0.51
KCNH2 Q12809 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 1/20 0.49
EPHX2 P34913 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4640449 0.79 RAB9A (0.58) ALDH1A1LMNASMN1; SMN2MAPK1RAB9A
SCHEMBL30829417 0.76 L3MBTL1 (0.68) NR1H4ALDH1A1ROCK2ROCK1LMNA
SCHEMBL10949279 0.76 ALDH1A1 (0.69) NR1H4ALDH1A1LMNADRD2ACHE
SCHEMBL4640486 0.75 L3MBTL1 (0.55) LMNASMN1; SMN2HPGDMAPK1TDP1
SCHEMBL2919972 0.74 SMN1; SMN2 (0.82) NR1H4ALDH1A1LMNADRD2ACHE
SCHEMBL5345421 0.74 MMP13 (0.63) NR1H4ROCK2ROCK1LMNASMN1; SMN2
SCHEMBL9543614 0.73 MEN1 (0.67) ALDH1A1LMNADRD2ACHESLC6A2
SCHEMBL4640433 0.72 FYN (0.41) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL30474381 0.72 APEX1 (0.55) ALDH1A1ROCK2ROCK1LMNACYP2C19
SCHEMBL29200010 0.72 APEX1 (0.55) ALDH1A1ROCK2ROCK1LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 NR1H4 82/4885ALDH1A1 1240/4885ROCK2 2756/4885

“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.