SCHEMBL424354

SCHEMBL424354

CN(C(=O)n1nnc2ccccc21)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 11/20 0.48
MGAM O43451 10/20 0.48
AMY1A P0DUB6 10/20 0.48
SI P14410 10/20 0.48
MGAM2 Q2M2H8 10/20 0.48
F2 P00734 2/20 0.48
HPGD P15428 1/20 0.48
SLC9A1 P19634 1/20 0.48
DGAT1 O75907 1/20 0.45
KCNMA1 Q12791 1/20 0.45
LIPE Q05469 1/20 0.44
F12 P00748 6/20 0.44
MIF P14174 1/20 0.44
TSHR P16473 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
SCHEMBL425552 0.80 KMT2A (0.59) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL425007 0.79 KMT2A (0.61) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL427308 0.79 KMT2A (0.70) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL7899312 0.77 KMT2A (0.59) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL425440 0.76 F12 (0.60) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL425777 0.74 KMT2A (0.56) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL706083 0.74 MGAM (0.68) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL425444 0.73 F12 (0.65) KMT2AMAPTNPSR1KDM4EALDH1A1
Methyl Alcohol SCHEMBL28226904 0.73 GAA (0.67) KMT2AMAPTNPSR1KDM4EALDH1A1
SCHEMBL2494944 0.73 MGAM (0.62) KMT2AMAPTNPSR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KMT2A 2067/4885MAPT 1705/4885NPSR1 384/4885

“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.