SCHEMBL31663544

SCHEMBL31663544

N#Cc1cc(-c2cccnc2)ccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.55
CYP11B2 P19099 7/20 0.54
CYP11B1 P15538 6/20 0.54
CYP17A1 P05093 2/20 0.54
CYP19A1 P11511 3/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL31663517 0.87 XDH (0.52) XDHCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL8665465 0.83 MCL1 (0.51) XDHCYP11B2CYP11B1CYP19A1KDM4E
SCHEMBL29293022 0.83 XDH (0.42) XDHCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL29292888 0.83 XDH (0.42) XDHCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL31663569 0.82 CYP11B2 (0.47) XDHCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL29292889 0.81 XDH (0.47) XDHCYP11B2CYP11B1CYP19A1CNR1
SCHEMBL29293021 0.81 XDH (0.47) XDHCYP11B2CYP11B1CYP19A1CNR1
SCHEMBL6439562 0.79 CYP11B2 (0.56) CYP11B2CYP11B1CYP17A1CYP19A1KDM4E
SCHEMBL31663540 0.79 CNR1 (0.50) XDHCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL14856915 0.78 ESR2 (0.55) CYP11B2CYP11B1CNR1CNR2KDM4E

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.