SCHEMBL4842710

SCHEMBL4842710

CC(=O)Nc1cccc(C(=O)/C=C2\NC(C)(C)Cc3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 6/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
ATM Q13315 4/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL4842727 1.00 MAPT (0.57) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4835142 0.88 MAPT (0.60) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4835151 0.88 MAPT (0.60) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4839243 0.86 TSHR (0.45) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4839226 0.86 TSHR (0.45) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4837993 0.86 MAPT (0.49) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4838007 0.86 MAPT (0.49) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4842808 0.85 MAPT (0.55) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4842790 0.85 MAPT (0.55) MAPTHTTKMT2AALDH1A1MEN1
SCHEMBL4842662 0.83 MAPT (0.59) MAPTHTTKMT2AALDH1A1MEN1

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 11 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
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 MAPT 3538/4885HTT 3467/4885KMT2A 921/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MAPT 646/4885HTT 2525/4885KMT2A 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.