SCHEMBL12730487

SCHEMBL12730487

CCn1cnc2ccc(O)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
FGFR1 P11362 2/20 0.39
BACE1 P56817 1/20 0.39

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 0.86 NPC1 (0.51) HDAC1HDAC8NPC1RAB9AKMT2A
SCHEMBL12730477 0.86 NPC1 (0.51) HDAC1HDAC8NPC1RAB9AKMT2A
SCHEMBL30583523 0.83 LMNA (0.60) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL18638316 0.80 FDPS (0.43) ALDH1A1MAPTTDP1FGFR1BACE1
SCHEMBL29463871 0.80 FDPS (0.43) ALDH1A1MAPTTDP1FGFR1BACE1
SCHEMBL30762581 0.80 NPC1 (0.42) HDAC1HDAC8NPC1RAB9AKMT2A
SCHEMBL18231503 0.80 NPC1 (0.42) HDAC1HDAC8NPC1RAB9AKMT2A
SCHEMBL14446372 0.80 ALDH1A1 (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL23507976 0.79 NPC1 (0.55) HDAC1HDAC8NPC1RAB9AKMT2A
SCHEMBL15910681 0.79 MAPT (0.51) HDAC1HDAC8NPC1RAB9AKMT2A

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
WO-2022266340-A1 SELF-ASSEMBLING NANOPARTICLES BASED ON AMPHIPHILIC PEPTIDES FOR DRUG DELIVERY APPLICATIONS VACCITECH NORTH AMERICA, INC. (US) 2022-12-22 WO disclosed
US-10040767-B2 Benzimidazole derivatives and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. 2017-03-30 US disclosed
WO-2015175845-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-11-19 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
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 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 (3 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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 HDAC1 193/4885HDAC8 257/4885NPC1 2792/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 HDAC1 555/4885HDAC8 1548/4885NPC1 937/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 HDAC1 193/4885HDAC8 257/4885NPC1 2792/4885

“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.