SCHEMBL21933898

SCHEMBL21933898

Clc1ccc2c(c1)nc(-c1ccccc1)c1cccc(-c3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.49
DHODH Q02127 2/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 4/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 3/20 0.45
MAT2A P31153 1/20 0.45
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL21934775 0.91 L3MBTL1 (0.49) ADORA1DHODHKDM4EGAAL3MBTL1
SCHEMBL21933921 0.90 KDM4E (0.52) ADORA1DHODHKDM4EGAAL3MBTL1
SCHEMBL21933893 0.88 KDM4E (0.60) DHODHKDM4EGAAL3MBTL1LMNA
SCHEMBL21935001 0.87 KDM4E (0.58) DHODHKDM4EGAAL3MBTL1LMNA
SCHEMBL21933947 0.87 ADORA2A (0.49) ADORA1KDM4EGAAL3MBTL1LMNA
SCHEMBL17035133 0.84 ADORA1 (0.50) ADORA1DHODHESR1ESR2KDM4E
SCHEMBL21935002 0.83 L3MBTL1 (0.50) DHODHKDM4EGAAL3MBTL1LMNA
SCHEMBL21933942 0.82 MEN1 (0.48) KDM4EGAAL3MBTL1LMNAMAPT
SCHEMBL20690705 0.82 ADORA1 (0.56) ADORA1DHODHESR1ESR2KDM4E
SCHEMBL21935718 0.81 KDM4E (0.54) DHODHKDM4EGAAL3MBTL1LMNA

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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ADORA1 1875/4885DHODH 247/4885ESR1 112/4885

“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.