SCHEMBL21395983

SCHEMBL21395983

N#Cc1ccc2sc3ccc(-c4ccc(-c5cnc6c(ccc7cccnc76)c5)c5ccccc45)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.42
PARP1 P09874 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP17A1 P05093 1/20 0.39
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
FABP1 P07148 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE10A Q9Y233 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PRMT5 O14744 1/20 0.34

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
SCHEMBL21395982 0.81 SLC40A1 (0.43) SLC40A1CYP11B1CYP11B2CYP17A1CCR1
SCHEMBL15582301 0.80 CCR1 (0.43) PARP1CYP11B1CYP11B2CYP17A1CCR1
SCHEMBL21395981 0.80 SLC40A1 (0.42) SLC40A1CYP11B1CYP11B2CYP17A1CCR1
SCHEMBL21395980 0.79 PIM1 (0.39) SLC40A1PARP1CYP11B1CYP11B2CYP17A1
SCHEMBL17229146 0.78 CCR1 (0.49) CYP11B1CCR1CCR5CCR8KDM4E
SCHEMBL21395984 0.77 PARP1 (0.38) SLC40A1PARP1CYP11B1CYP11B2CYP17A1
SCHEMBL16561026 0.76 CA1 (0.41) CYP11B1CYP11B2CYP17A1ADORA2ACA1
SCHEMBL18266992 0.76 CCR1 (0.40) CYP11B1CYP11B2CYP17A1CCR1CCR5
SCHEMBL18012561 0.75 ADORA2A (0.35) SLC40A1CYP11B1CYP11B2CYP17A1FABP1
SCHEMBL22064687 0.75 FABP1 (0.51) SLC40A1PARP1CYP11B1CYP11B2CYP17A1

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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 SLC40A1 2482/4885PARP1 1538/4885CYP11B1 515/4885

“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.