Sugi Predict

Sugi Predict / Compounds / SCHEMBL25818441

SCHEMBL25818441

SCHEMBL25818441

Clc1nc(-c2cccc(-c3ccc4cc(-c5ccc6ccccc6c5)ccc4c3)c2)nc(-c2ccc3sc4ccccc4c3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ CYP17A1 P05093 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ SIRT2 Q8IXJ6 5/20 0.33
▸ S1PR5 Q9H228 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ CNR1 P21554 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33

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
SCHEMBL22161533 1.00 HSD17B1 (0.37) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL22161491 0.95 GPR3 (0.39) CYP17A1CYP19A1CYP11B1CYP11B2GPR3
SCHEMBL25818402 0.94 GPR3 (0.33) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL25818528 0.94 PIM3 (0.38) GPR3KDM4ECYP1A2MEN1ALDH1A1
SCHEMBL25817725 0.94 HSD17B1 (0.41) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL25818453 0.91 ALDH1A1 (0.36) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL23437787 0.91 GPR3 (0.38) GPR3KDM4ECYP1A2MEN1ALDH1A1
SCHEMBL27252325 0.91 CYP1A2 (0.41) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL26363520 0.91 PIM3 (0.40) GPR3KDM4ECYP1A2MEN1ALDH1A1
SCHEMBL22161555 0.90 PIM3 (0.40) GPR3KDM4ECYP1A2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917914-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-02-27 — — US disclosed
US-20230225206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-07-13 — — US disclosed
US-20230225206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-07-13 — — 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-11917914-B1 Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof NFE2L2, ESR1, OR51E2 HSD17B1 3460/4885HSD17B2 2761/4885CYP17A1 895/4885
US-20230225206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF NFE2L2, ESR1, OR51E2 HSD17B1 3460/4885HSD17B2 2761/4885CYP17A1 895/4885

“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.