SCHEMBL4553559

SCHEMBL4553559

O=C1NCC(c2ccccc2)N1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 6/20 0.51
HDAC6 Q9UBN7 2/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC6A3 Q01959 1/20 0.38
PAX8 Q06710 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC5 Q9UQL6 1/20 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
SCHEMBL8789317 0.89 SLC6A3 (0.50) QPCTALDH1A1LMNASLC6A3
SCHEMBL4553224 0.81 ATM (0.43) QPCTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL12732596 0.76 QPCT (0.87) QPCTHDAC6
SCHEMBL31663152 0.76 GAA (0.44) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15775916 0.76 MEN1 (0.39) QPCTALDH1A1MEN1KMT2A
SCHEMBL22560034 0.76 MEN1 (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1
SCHEMBL2234874 0.76 GAA (0.44) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1444543 0.75 QPCT (0.72) QPCT
SCHEMBL6629235 0.75 MAPT (0.55) QPCTALDH1A1CYP2C9SMN1; SMN2LMNA
SCHEMBL523273 0.73 ESR1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190134005-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-05-09 US disclosed
EP-3468954-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BioMarin Pharmaceutical Inc. (US) 2019-04-17 EP disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 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 (2 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 QPCT 1573/4885HDAC6 1723/4885ALDH1A1 1290/4885
US-20190134005-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 QPCT 202/4885HDAC6 377/4885ALDH1A1 2406/4885

“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.