SCHEMBL424249

SCHEMBL424249

O=C(c1ccc2[nH]nnc2c1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.54
L3MBTL3 Q96JM7 5/20 0.54
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 2/20 0.52
PARP1 P09874 3/20 0.51
MBTD1 Q05BQ5 3/20 0.48
NAMPT P43490 1/20 0.47

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
SCHEMBL14889527 0.89 L3MBTL3 (0.49) L3MBTL1L3MBTL3MBTD1
SCHEMBL117191 0.85 L3MBTL3 (0.52) L3MBTL1L3MBTL3MBTD1
SCHEMBL23029471 0.84 HPGD (0.55) ALDH1A1POLB
SCHEMBL118381 0.83 LRRK2 (0.47) L3MBTL1L3MBTL3KDM4EALDH1A1MBTD1
SCHEMBL118545 0.82 KMT2A (0.44) L3MBTL1L3MBTL3MBTD1
SCHEMBL15996442 0.80 NAMPT (0.43) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL118063 0.80 NAMPT (0.43) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL3946115 0.80 L3MBTL1 (0.55) L3MBTL1L3MBTL3KDM4EALDH1A1POLB
SCHEMBL117560 0.79 CCR3 (0.42) L3MBTL1L3MBTL3MBTD1
SCHEMBL118338 0.79 ENPP2 (0.52) L3MBTL1L3MBTL3

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 L3MBTL1 4550/4885L3MBTL3 4647/4885KDM4E 1982/4885

“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.