SCHEMBL25796237

SCHEMBL25796237

Cc1nn(I)c2c1CCCCCCC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTR6 P50406 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.31
PARP1 P09874 1/20 0.31
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL25772021 1.00 KDM4E (0.40) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL14752431 0.77 PARP1 (0.42) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL14752475 0.74 PARP1 (0.43) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL23937901 0.72 KDM4E (0.41) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL26380452 0.72 L3MBTL1 (0.40) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL13159948 0.70 KDM4E (0.46) KDM4EL3MBTL1NPC1ALDH1A1RAB9A
SCHEMBL10214777 0.69 KDM4E (0.45) KDM4EL3MBTL1ALDH1A1HPGDHSD17B10
SCHEMBL17697580 0.69 RAB9A (0.39) KDM4EL3MBTL1ALDH1A1HPGDRAB9A
SCHEMBL15723615 0.69 L3MBTL1 (0.41) KDM4EL3MBTL1NPC1ALDH1A1HPGD
SCHEMBL19312297 0.68 KDM4E (0.44) KDM4EL3MBTL1NPC1ALDH1A1RAB9A

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-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 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-20230192738-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OPRM1, OPRD1, OXER1 KDM4E 3356/4885L3MBTL1 242/4885NPC1 2178/4885

“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.