SCHEMBL21702013

SCHEMBL21702013

C#Cc1ccccc1-c1cccc2c1-c1c(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cccc1C21c2ccccc2Sc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.37
MAOA P21397 4/20 0.37
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
NTSR1 P30989 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
GLA P06280 1/20 0.34
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
CYP2C19 P33261 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAPK10 P53779 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21701893 0.94 ADORA3 (0.30) ADORA2AADORA1
SCHEMBL21701915 0.87 MEN1 (0.36) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21702146 0.86 MAOB (0.37) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21151246 0.85 MEN1 (0.41) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21151245 0.85 MEN1 (0.41) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21702004 0.83 ABCG2 (0.44) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21478028 0.83 MEN1 (0.40) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21932611 0.81 TOP1 (0.39) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL21151253 0.79 MEN1 (0.40) MAOBMAOAMEN1KMT2AMAPT
SCHEMBL23257080 0.79 MEN1 (0.33) MAOBMAOAMEN1KMT2AMAPT

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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME LG CHEM, LTD. (KR) 2020-02-13 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-20200048230-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING SAME CRY1, CRY2, CYP1A1 MAOB 516/4885MAOA 439/4885MEN1 319/4885

“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.