SCHEMBL21396891

SCHEMBL21396891

N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.36
PDE10A Q9Y233 11/20 0.34
NPY5R Q15761 1/20 0.33
DHODH Q02127 1/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
ACHE P22303 1/20 0.33
IKBKB O14920 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL21378045 1.00 CYP11B2 (0.36) CYP11B2PDE10ANPY5RDHODHMAOA
SCHEMBL21378018 1.00 CYP11B2 (0.36) CYP11B2PDE10ANPY5RDHODHMAOA
SCHEMBL21378080 0.94 CYP11B2 (0.36) CYP11B2PDE10ANPY5RDHODHIKBKB
SCHEMBL21378034 0.94 CYP11B2 (0.36) CYP11B2PDE10ANPY5RDHODHIKBKB
SCHEMBL21377946 0.91 TSPO (0.34) NPY5RKDM4EGAA
SCHEMBL21378084 0.88 MAOA (0.34) CYP11B2PDE10ANPY5RMAOAMAOB
SCHEMBL31273551 0.86 CYP11B2 (0.37) CYP11B2PDE10ANPY5RDHODHMAOA
SCHEMBL21396900 0.86 CYP11B2 (0.33) CYP11B2PDE10AMAOAMAOBACHE
SCHEMBL21377919 0.86 CYP11B2 (0.33) CYP11B2PDE10AMAOAMAOBACHE
SCHEMBL21396838 0.86 CYP11B2 (0.33) CYP11B2PDE10AMAOAMAOBACHE

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 CYP11B2 1221/4885PDE10A 3833/4885NPY5R 3165/4885

“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.