SCHEMBL22477643

SCHEMBL22477643

Clc1ncccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 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
SCHEMBL3327536 0.84 DHODH (0.50) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL27945860 0.80 DHODH (0.51) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL23802639 0.79 ADORA3 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL31398842 0.79 ADORA3 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL16246145 0.79 L3MBTL1 (0.61) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL18181000 0.78 CYP2A6 (0.60) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL27761013 0.77 NPC1 (0.50) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL19497486 0.77 L3MBTL1 (0.58) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL19497485 0.77 L3MBTL1 (0.58) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL12853994 0.77 L3MBTL1 (0.58) MEN1KMT2AHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162210-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2022-05-26 US disclosed
WO-2020197240-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-10-01 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 (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-20220162210-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, CTCF, LAGE3 MEN1 1333/4885KMT2A 1401/4885HTT 2739/4885

“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.