SCHEMBL425120

SCHEMBL425120

CN(C)/C=N/C(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 7/20 0.58
ALDH1A1 P00352 6/20 0.52
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 3/20 0.43
CES2 O00748 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
SCHEMBL446955 1.00 HTT (0.61) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1186125 0.83 HTT (0.44) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4901316 0.83 CYP1A2 (0.49) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4901313 0.83 CYP1A2 (0.49) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL7900930 0.83 CYP1A2 (0.49) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1186128 0.83 HTT (0.44) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11290394 0.81 RAB9A (0.51) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11289683 0.81 POLB (0.61) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1438908 0.81 RAB9A (0.51) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1438906 0.81 RAB9A (0.51) HTTL3MBTL1SMN1; SMN2ALDH1A1HPGD

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 9 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
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO 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 HTT 900/4885L3MBTL1 4550/4885SMN1; SMN2 2818/4885

“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.