SCHEMBL3752453

SCHEMBL3752453

Cn1c(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PDE10A Q9Y233 1/20 0.54
ATM Q13315 1/20 0.52
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
PKM P14618 3/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48

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
SCHEMBL1104828 0.92 HDAC1 (0.64) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL16692131 0.87 HDAC1 (0.59) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL13098078 0.84 HDAC1 (0.56) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL10030014 0.83 NLRP3 (0.61) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL2248617 0.83 RAB9A (0.71) RAB9ANPC1KDM4EALDH1A1PKM
SCHEMBL9976962 0.82 HDAC1 (0.54) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL12912532 0.82 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL13043014 0.82 HDAC1 (0.54) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL13042818 0.82 HDAC1 (0.54) HDAC1HDAC8HDAC6PDE10AATM
SCHEMBL3741438 0.81 PTGS2 (0.53) HDAC1HDAC8HDAC6NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833632-B2 Nitrogenous heterocycle derivative, and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-11-16 US disclosed
EP-1734038-B1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO (JP) 2009-11-04 EP disclosed
US-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same IDEMITSU KASON CO.LTD (JP) 2007-08-30 US disclosed
EP-1734038-A1 NITROGENOUS HETEROCYCLE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-12-20 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-20070200490-A1 Nitrogenous Heterocycle Derivative, And Organic Electroluminescent Element Employing The Same RPS3A, NCOA3, HNRNPA0 HDAC1 209/4885HDAC8 2580/4885HDAC6 2819/4885

“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.