SCHEMBL427449

SCHEMBL427449

CN(C(=O)n1nnc2ccc(Cl)cc21)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
THRB P10828 1/20 0.47
LIPE Q05469 4/20 0.46
ACHE P22303 1/20 0.46
KMO O15229 1/20 0.46
F12 P00748 1/20 0.45
MGAM O43451 4/20 0.44
AMY1A P0DUB6 4/20 0.44
GAA P10253 4/20 0.44
SI P14410 4/20 0.44
MGAM2 Q2M2H8 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNMA1 Q12791 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 3/20 0.42

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
SCHEMBL427465 0.90 KCNMA1 (0.55) GLATHRBLIPEACHEF12
SCHEMBL425440 0.84 F12 (0.60) GLATHRBLIPEACHEF12
SCHEMBL425552 0.84 KMT2A (0.59) F12MGAMAMY1AGAASI
SCHEMBL447802 0.82 GAA (0.63) LIPEACHEMGAMAMY1AGAA
SCHEMBL27380658 0.77 KMO (0.57) GLATHRBKMOF12MGAM
SCHEMBL445611 0.77 GAA (0.45) LIPEACHEF12MGAMAMY1A
SCHEMBL7906221 0.77 SMN1; SMN2 (0.47) LIPEACHEF12MGAMAMY1A
SCHEMBL427308 0.77 KMT2A (0.70) THRBF12MGAMAMY1AGAA
SCHEMBL7899312 0.75 KMT2A (0.59) LIPEACHEF12MGAMAMY1A
SCHEMBL12777748 0.74 GPR139 (0.44) GLATHRBKMOF12MGAM

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 GLA 901/4885THRB 3360/4885LIPE 61/4885

“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.