SCHEMBL29896002

SCHEMBL29896002

CC(OC(=O)Nc1cnccn1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
THRB P10828 1/20 0.57
RAB9A P51151 4/20 0.50
LPAR1 Q92633 2/20 0.50
NPC1 O15118 2/20 0.50
KDM4E B2RXH2 6/20 0.48
LPAR3 Q9UBY5 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FFAR2 O15552 1/20 0.47
NOTUM Q6P988 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.45
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL29895989 0.81 LPAR1 (0.47) LPAR1LPAR3POLB
SCHEMBL9915902 0.76 RORC (0.49) LPAR1LPAR3SMN1; SMN2LRRK2
SCHEMBL29895995 0.76 LPAR1 (0.53) LPAR1LPAR3LRRK2
SCHEMBL1011910 0.76 KDM4E (0.50) GAATHRBRAB9AKDM4EHTT
SCHEMBL28568899 0.75 KLK7 (0.54) LPAR1LPAR3HSD17B10KMT2AMEN1
SCHEMBL28571893 0.75 KLK7 (0.54) LPAR1LPAR3HSD17B10KMT2AMEN1
SCHEMBL29895983 0.74 LPAR1 (0.51) LPAR1LPAR3LRRK2
SCHEMBL28163574 0.74 LPAR1 (0.54) GAARAB9ALPAR1LPAR3FFAR2
SCHEMBL28163571 0.74 LPAR1 (0.54) GAARAB9ALPAR1LPAR3FFAR2
SCHEMBL29895998 0.74 LPAR1 (0.51) LPAR1LPAR3LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2022-08-30 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-11427552-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 GAA 4145/4885THRB 2829/4885RAB9A 981/4885

“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.