SCHEMBL3294669

SCHEMBL3294669

CC(C)(C(=O)O)c1nnn(Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC16A3 O15427 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
GHSR Q92847 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC16A1 P53985 1/20 0.42
MCTS1 Q9ULC4 1/20 0.42
GRN P28799 2/20 0.42
SORT1 Q99523 2/20 0.42
POLB P06746 1/20 0.41
THRB P10828 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4407425 0.83 RAB9A (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL3295862 0.79 RAB9A (0.50) RAB9AL3MBTL1NPC1SMN1; SMN2SLC16A3
SCHEMBL4409236 0.78 RAB9A (0.59) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4397434 0.76 RAB9A (0.57) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4410891 0.75 RAB9A (0.56) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4409073 0.74 RAB9A (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL2707447 0.73 RAB9A (0.58) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL2705934 0.72 RAB9A (0.56) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4412239 0.71 RAB9A (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6
SCHEMBL4161455 0.71 RAB9A (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737163-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-06-15 US disclosed
US-7705020-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC. (US) 2010-04-27 US disclosed
US-7595329-B2 Benzimidazolone carboxylic acid derivatives PFIZER INC (US) 2009-09-29 US disclosed
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives PFIZER INC 2008-05-08 US disclosed
EP-1758891-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES Pfizer Japan Inc. (JP) 2007-03-07 EP disclosed
WO-2005123718-A2 BENZIMIDAZOLONE CARBOXYLIC ACID DERIVATIVES PFIZER JAPAN INC. (JP) 2005-12-29 WO disclosed
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-20050277673-A1 Benzimidazolone carboxylic acid derivatives PFIZER JAPAN INC. (JP) 2005-12-15 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 (4 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-20050277673-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 RAB9A 2088/4885L3MBTL1 3182/4885NPC1 1201/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 RAB9A 2088/4885L3MBTL1 3182/4885NPC1 1201/4885
US-20050277671-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 RAB9A 2088/4885L3MBTL1 3182/4885NPC1 1201/4885
US-20080108660-A1 Benzimidazolone Carboxylic Acid Derivatives HRH2, HRH4, GPR4 RAB9A 2248/4885L3MBTL1 3192/4885NPC1 1071/4885

“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.