SCHEMBL21395982

SCHEMBL21395982

N#Cc1ccc2sc3ccc(-c4ccc5ccc6cccnc6c5n4)cc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.43
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MMP8 P22894 1/20 0.37
CCR1 P32246 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL21395981 0.95 SLC40A1 (0.42) SLC40A1CYP17A1CYP11B1CYP11B2KDM4E
SCHEMBL15582120 0.89 CCR1 (0.47) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL25782902 0.86 FABP1 (0.41) SLC40A1CYP17A1CYP11B1CYP11B2KDM4E
SCHEMBL25782864 0.85 FABP1 (0.41) SLC40A1CYP17A1CYP11B1CYP11B2FABP1
SCHEMBL25784541 0.85 PDE10A (0.41) SLC40A1PDE4APDE4CPDE4DGLO1
SCHEMBL15582126 0.84 CCR1 (0.42) KDM4EGMNNLMNATP53HSP90AA1
SCHEMBL15582124 0.84 CCR1 (0.44) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL21395739 0.84 SLC40A1 (0.41) SLC40A1CYP17A1CYP11B1CYP11B2KDM4E
SCHEMBL21512261 0.83 PDE4D (0.39) SLC40A1CYP17A1CYP11B1CYP11B2FABP1
SCHEMBL21395983 0.81 SLC40A1 (0.42) SLC40A1CYP17A1CYP11B1CYP11B2KDM4E

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 2482/4885CYP17A1 2548/4885CYP11B1 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.