SCHEMBL424464

SCHEMBL424464

O=C(N1CCN(Cc2ccccc2)CC1)n1cnc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FAAH O00519 2/20 0.49
MGLL Q99685 2/20 0.49

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
SCHEMBL424466 0.89 FAAH (0.55) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL427358 0.85 DGAT1 (0.50) ALDH1A1LMNA
SCHEMBL424475 0.84 SMN1; SMN2 (0.53) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL425498 0.81 FAAH (0.58) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL427298 0.79 TSHR (0.51) ALDH1A1KDM4EKMT2ASMN1; SMN2TSHR
SCHEMBL27791391 0.78 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL425588 0.75 DRD2 (0.54) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL20571359 0.74 FAAH (0.71) FAAHMGLL
SCHEMBL17276252 0.74 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL24970134 0.73 FAAH (0.72) FAAHMGLL

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 ALDH1A1 294/4885KDM4E 1982/4885LMNA 2523/4885

“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.