SCHEMBL23959346

SCHEMBL23959346

CC(C)Cc1nnc2ccccn12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 5/20 0.65
MAPK14 Q16539 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.39
DNMT1 P26358 1/20 0.39
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL8350565 0.79 KDM4E (0.71) KDM4EALDH1A1MAPK14LMNANPC1
SCHEMBL21577712 0.77 KDM4E (0.53) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL24862850 0.76 KDM4E (0.67) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL14759162 0.76 KDM4E (0.71) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL5373208 0.76 KDM4E (0.71) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL5359262 0.76 KDM4E (0.71) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL12797503 0.75 KDM4E (0.70) KDM4EALDH1A1LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL14759243 0.74 KDM4E (0.69) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL18359398 0.74 PDE2A (0.44) KDM4EALDH1A1MAPK14MAPK1DNMT1
SCHEMBL24273206 0.73 KDM4E (0.67) KDM4EALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4252755-A2 THERAPEUTIC COMPOUNDS C4x Discovery Limited (GB) 2023-10-04 EP disclosed
US-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2023-05-25 US disclosed
WO-2023073364-A1 TETRAHYDROISOQUINOLINE COMPOUNDS THAT ARE KEAP1 BINDERS C4X DISCOVERY LIMITED (GB) 2023-05-04 WO disclosed
US-20220002286-A1 THERAPEUTIC COMPOUNDS C4X DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
WO-2021214472-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS C4X DISCOVERY LIMITED (GB) 2021-10-28 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-20230159511-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 KDM4E 2935/4885ALDH1A1 773/4885MAPK14 1353/4885
US-20220002286-A1 THERAPEUTIC COMPOUNDS NFE2L2, KEAP1, NQO1 KDM4E 3963/4885ALDH1A1 307/4885MAPK14 2113/4885

“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.