SCHEMBL4844857

SCHEMBL4844857

COc1cc2c(cc1OC)/C(=C/C(=O)c1ccccc1)NC(C)(C)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
LMNA P02545 2/20 0.64
KMT2A Q03164 8/20 0.58
ALDH1A1 P00352 7/20 0.58
MEN1 O00255 6/20 0.58
HTT P42858 3/20 0.58
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
HPGD P15428 2/20 0.58
CYP2C19 P33261 2/20 0.58
PKM P14618 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
MAPT P10636 5/20 0.55
GAA P10253 2/20 0.54
CYP3A4 P08684 1/20 0.54
HSD17B10 Q99714 1/20 0.49
GLA P06280 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
SCHEMBL4844869 1.00 KDM4E (0.64) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4846002 0.87 KDM4E (0.62) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4846014 0.87 KDM4E (0.62) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4846255 0.86 ALDH1A1 (0.58) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4846243 0.86 ALDH1A1 (0.58) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4846826 0.85 MAPT (0.48) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4845857 0.85 MAPT (0.48) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4845850 0.85 MAPT (0.48) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4846814 0.85 MAPT (0.48) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL4835267 0.83 KMT2A (0.49) KDM4ELMNAKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP claimed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US claimed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US claimed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 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 (2 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-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 KDM4E 1627/4885LMNA 3762/4885KMT2A 921/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KDM4E 4466/4885LMNA 3014/4885KMT2A 4642/4885

“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.