SCHEMBL11665349

SCHEMBL11665349

O=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
LMNA P02545 4/20 1.00
HTT P42858 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
KDM4E B2RXH2 1/20 1.00
POLB P06746 1/20 1.00
MAPK1 P28482 1/20 1.00
NPSR1 Q6W5P4 5/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
PLA2G1B P04054 1/20 0.67
CYP1A2 P05177 1/20 0.67
ATG4B Q9Y4P1 1/20 0.67
TRPA1 O75762 1/20 0.67
AKR1C1 Q04828 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.63

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
SCHEMBL29158467 0.89 MAPT (0.79) MAPTKMT2AMEN1LMNAHTT
SCHEMBL29158527 0.89 MAPT (0.79) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1784868 0.87 MEN1 (0.75) MAPTKMT2AMEN1LMNAHTT
SCHEMBL1784866 0.87 MEN1 (0.75) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2843795 0.83 MAPT (0.71) MAPTKMT2AMEN1LMNAHTT
SCHEMBL2843794 0.83 MAPT (0.71) MAPTKMT2AMEN1LMNAHTT
SCHEMBL11476504 0.81 MAPT (0.69) MAPTKMT2AMEN1LMNAHTT
SCHEMBL11476503 0.81 MAPT (0.69) MAPTKMT2AMEN1LMNAHTT
SCHEMBL8991793 0.81 MAPT (0.69) MAPTKMT2AMEN1LMNAHTT
SCHEMBL14573795 0.81 MAPT (0.68) MAPTKMT2AMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017606-B2 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS JANSSEN-CILAG (FR) 2011-05-26 US disclosed
US-7902225-B2 Mycobacterial inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance JANSSEN PHARMACEUTICA N.V. 2008-10-16 US disclosed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US disclosed
US-4066764-A 1,4-Dihydro-2H-isoquinoline derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-03 US disclosed
US-4049655-A 1,4-Dihydro-2H-isoquinoline derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3980655-A Basically substituted 1,4-dihydro-2H-isoquinoline derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-14 US 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 (3 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-20110124870-A1 NOVEL MYCOBACTERIAL INHIBITORS NQO2, NAT1, HRH1 MAPT 904/4885KMT2A 3862/4885MEN1 1507/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 MAPT 854/4885KMT2A 3905/4885MEN1 1792/4885
US-20080255116-A1 Therapy for bacteria infections other than Mycibacterium infections; antibiotic resistance RER1, HRH4, HRH1 MAPT 2499/4885KMT2A 2701/4885MEN1 648/4885

“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.