SCHEMBL424517

SCHEMBL424517

CN(C(=O)n1cnc(-c2cccc3ccccc23)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 2/20 0.38
LIPE Q05469 2/20 0.38
CNR2 P34972 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
HTR2C P28335 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL425651 0.82 APOBEC3A (0.43) ALDH1A1HTR2CKMT2AMEN1
SCHEMBL427271 0.75 LIPE (0.58) SMN1; SMN2ACHELIPEALDH1A1LMNA
SCHEMBL427439 0.74 ALDH1A1 (0.44) SMN1; SMN2ACHELIPEKDM4EALDH1A1
SCHEMBL424347 0.73 LIPE (0.56) SMN1; SMN2ACHELIPEKDM4EALDH1A1
SCHEMBL427661 0.69 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1LMNAKMT2A
SCHEMBL425582 0.69 PARP10 (0.47) SMN1; SMN2ACHELIPEALDH1A1KMT2A
SCHEMBL2179538 0.67 BCHE (0.48) ACHELIPEALDH1A1LMNAKMT2A
SCHEMBL425384 0.65 LMNA (0.52) SMN1; SMN2LIPEKDM4EALDH1A1LMNA
SCHEMBL9303595 0.64 POLB (0.60) SIGMAR1KDM4EL3MBTL1KMT2AMEN1
Bicarbonate SCHEMBL11569280 0.63 NR4A1 (0.58) KDM4EALDH1A1HPGDKMT2AMEN1

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 SMN1; SMN2 2818/4885ACHE 167/4885LIPE 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.