SCHEMBL17263200

SCHEMBL17263200

CCn1cnc2ccc(CCC(=O)O)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.47
PLA2G4A P47712 1/20 0.42
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC22A12 Q96S37 4/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
F10 P00742 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL18662785 0.85 MTNR1A (0.44) PLA2G4AHDAC1HDAC8NPC1RAB9A
SCHEMBL17263205 0.80 NPC1 (0.42) PLA2G4ALMNAHDAC1HDAC8NPC1
SCHEMBL23507976 0.79 NPC1 (0.55) LMNAHDAC1HDAC8NPC1RAB9A
SCHEMBL6118570 0.77 NPC1 (0.44) LMNAHDAC1HDAC8NPC1RAB9A
SCHEMBL6112726 0.74 NPC1 (0.52) PLA2G4AHDAC1HDAC8NPC1RAB9A
SCHEMBL12730487 0.72 HDAC1 (0.42) LMNAHDAC1HDAC8NPC1RAB9A
SCHEMBL17263146 0.71 HDAC1 (0.60) LMNASLC22A12HDAC1HDAC8RAB9A
SCHEMBL17263150 0.71 HDAC1 (0.60) LMNASLC22A12HDAC1HDAC8RAB9A
SCHEMBL14446372 0.71 ALDH1A1 (0.51) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30762581 0.71 NPC1 (0.42) LMNAHDAC1HDAC8NPC1RAB9A

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
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

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-20170088523-A1 BENZIMIDAZOLE DERIVATIVES AND USES THEREOF ACSS2, GLS2, ACSL3 EGLN3 1425/4885PLA2G4A 640/4885LMNA 3141/4885
US-10040767-B2 Benzimidazole derivatives and uses thereof ACSS2, GLS2, ACSL3 EGLN3 1425/4885PLA2G4A 640/4885LMNA 3141/4885

“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.