SCHEMBL22729432

SCHEMBL22729432

CCn1cc(C(=O)O)c2c(=O)n(C)cc(C)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.36
APEX1 P27695 1/20 0.36
BRD4 O60885 2/20 0.34
CREBBP Q92793 1/20 0.34
DRD3 P35462 1/20 0.34
HTT P42858 2/20 0.33

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
SCHEMBL22729514 0.83 NOTUM (0.37) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22729601 0.82 BRD4 (0.49) LMNABRD4NOTUM
SCHEMBL22729605 0.75 BRD4 (0.31) ALDH1A1BRD4
SCHEMBL22729808 0.74 CREBBP (0.41) MEN1PKMKMT2AKDM4EALDH1A1
SCHEMBL23139749 0.69 BRD4 (0.41) PKMKDM4EALDH1A1TDP1BRD4
SCHEMBL22729811 0.69 BRD4 (0.36) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL22729736 0.69 MAP2K1 (0.39) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22729865 0.68 ATM (0.37) LMNAMEN1KMT2AHPGDBRD4
SCHEMBL9319415 0.68 LMNA (0.46) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL22729613 0.67 NOTUM (0.34) LMNAKDM4EHPGDHSD17B10BRD4

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC LMNA 695/4885MEN1 1745/4885ABCC4 2585/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC LMNA 680/4885MEN1 1710/4885ABCC4 2793/4885

“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.