SCHEMBL12730477

SCHEMBL12730477

CCn1cnc2cc(O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.51
RAB9A P51151 10/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
GAA P10253 3/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
KDM4E B2RXH2 7/20 0.50
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HSD17B10 Q99714 3/20 0.50
FGFR1 P11362 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 3/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL30835173 1.00 NPC1 (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL12730487 0.86 HDAC1 (0.42) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL21815126 0.83 LMNA (0.60) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL27889368 0.83 FGFR1 (0.47) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL29110075 0.81 FGFR1 (0.46) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL29463864 0.80 FGFR1 (0.45) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL18638552 0.80 FGFR1 (0.45) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL10600757 0.80 NPC1 (0.62) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL3437990 0.79 NPC1 (0.56) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL12888666 0.79 NPC1 (0.67) NPC1RAB9AKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 NPC1 937/4885RAB9A 3022/4885KMT2A 2755/4885

“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.