SCHEMBL424475

SCHEMBL424475

O=C(N1CCN(Cc2ccccc2)CC1)n1cnc(-c2cccs2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
CHRM4 P08173 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL424464 0.84 ALDH1A1 (0.51) SMN1; SMN2KDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL427654 0.83 LMNA (0.53) SMN1; SMN2HTTKDM4EALDH1A1MAPT
SCHEMBL424466 0.77 FAAH (0.55) SMN1; SMN2KDM4EALDH1A1MEN1LMNA
SCHEMBL427358 0.73 DGAT1 (0.50) HTTHDAC1ALDH1A1MAPTLMNA
SCHEMBL27791391 0.72 ALDH1A1 (0.70) SMN1; SMN2HTTKDM4EALDH1A1MAPT
SCHEMBL426863 0.72 HDAC1 (0.44) SMN1; SMN2HDAC1HDAC6KDM4EALDH1A1
SCHEMBL5650921 0.70 SMN1; SMN2 (0.51) SMN1; SMN2HTTCHRM4KDM4EALDH1A1
SCHEMBL5651082 0.70 SMN1; SMN2 (0.51) SMN1; SMN2HTTCHRM4KDM4EALDH1A1
SCHEMBL13149772 0.70 HTT (1.00) SMN1; SMN2HTTKDM4EALDH1A1LMNA
SCHEMBL5645473 0.69 SMN1; SMN2 (0.50) SMN1; SMN2HTTCHRM4KDM4EALDH1A1

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 2818/4885HTT 900/4885CHRM4 2063/4885

“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.