SCHEMBL31663517

SCHEMBL31663517

N#Cc1cc(-c2ccccc2)ccc1-c1ccccc1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.52
CYP11B2 P19099 6/20 0.50
CYP11B1 P15538 5/20 0.49
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CYP17A1 P05093 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CYP19A1 P11511 3/20 0.44
IKBKB O14920 1/20 0.44
PDK2 Q15119 1/20 0.44
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNA5 P22460 1/20 0.43

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
SCHEMBL31663544 0.87 XDH (0.55) XDHCYP11B2CYP11B1KDM4EGLA
SCHEMBL7100987 0.85 CYP11B2 (0.50) CYP11B2CYP11B1KDM4EGLAGAA
SCHEMBL31663540 0.81 CNR1 (0.50) XDHCYP11B2CYP11B1KDM4EGLA
SCHEMBL29293022 0.79 XDH (0.42) XDHCYP11B2CYP11B1KDM4EGLA
SCHEMBL29292888 0.79 XDH (0.42) XDHCYP11B2CYP11B1KDM4EGLA
SCHEMBL14856915 0.78 ESR2 (0.55) CYP11B2CYP11B1KDM4EGLAGAA
SCHEMBL30630392 0.78 ESR2 (0.55) CYP11B2CYP11B1KDM4EGLAGAA
SCHEMBL13682560 0.78 CYP11B1 (0.53) CYP11B2CYP11B1KDM4ECYP17A1CYP19A1
SCHEMBL31264147 0.78 ESR2 (0.55) CYP11B2CYP11B1KDM4EGLAGAA
SCHEMBL29292889 0.77 XDH (0.47) XDHCYP11B2CYP11B1KDM4EGLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 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 (2 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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 XDH 1719/4885CYP11B2 1221/4885CYP11B1 1903/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 XDH 1719/4885CYP11B2 1221/4885CYP11B1 1903/4885

“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.