SCHEMBL425777

SCHEMBL425777

CON(C)C(=O)n1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
GAA P10253 10/20 0.55
MGAM O43451 9/20 0.55
AMY1A P0DUB6 9/20 0.55
SI P14410 9/20 0.55
MGAM2 Q2M2H8 9/20 0.55
F12 P00748 6/20 0.55
MIF P14174 1/20 0.55
F2 P00734 2/20 0.53
HPGD P15428 1/20 0.53
SLC9A1 P19634 1/20 0.53
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DGAT1 O75907 1/20 0.50
KCNMA1 Q12791 1/20 0.49

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
SCHEMBL425007 0.84 KMT2A (0.61) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL425552 0.79 KMT2A (0.59) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL427308 0.78 KMT2A (0.70) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL459733 0.78 GAA (0.60) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL425444 0.77 F12 (0.65) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL445704 0.75 GAA (0.52) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL7899312 0.75 KMT2A (0.59) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL425437 0.75 GAA (0.52) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL427748 0.75 GAA (0.52) KMT2AMAPTNPSR1ALDH1A1KDM4E
SCHEMBL3371897 0.75 GAA (0.57) HTTGAAMGAMAMY1ASI

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.