SCHEMBL460470

SCHEMBL460470

Clc1ccc(-c2ncn(-c3nc(N4CCc5ccccc5C4)n[nH]3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
KMT2A Q03164 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL425835 0.65 AKR1C3 (0.54) KMT2AHTTMEN1SMN1; SMN2POLB
SCHEMBL4094744 0.65 GBA1 (0.68) KMT2AHTTMEN1SMN1; SMN2TP53
SCHEMBL3714145 0.64 CETP (0.57) CETPKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL30101805 0.63 EED (0.64) CETPKMT2AMEN1BACE1GRIN2D
SCHEMBL10534823 0.63 EED (0.64) CETPKMT2AMEN1BACE1GRIN2D
SCHEMBL14519757 0.62 MAPK11 (0.68) CETPMAPK13MAPK12MAPK11MAPK14
SCHEMBL3241588 0.62 CETP (0.49) CETPKMT2AHTTSMN1; SMN2NPC1
SCHEMBL563657 0.62 GRIN2D (0.69) MAPTLMNAGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL8112333 0.60 GRIN2D (0.67) MAPTLMNAGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL8800979 0.60 GRIN2D (0.67) MAPTLMNAGRIN2DGRIN3BGRIN1

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 2 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US 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 CETP 150/4885MAPK13 4035/4885MAPK12 3705/4885

“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.