Sugi Predict

Sugi Predict / Compounds / SCHEMBL19683553

SCHEMBL19683553

SCHEMBL19683553

CC(C)c1ccc(Nc2ccc(-c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NPY1R P25929 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.55
▸ TNKS O95271 1/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ TNKS2 Q9H2K2 1/20 0.55
▸ PARP2 Q9UGN5 1/20 0.55
▸ MAOB P27338 4/20 0.53
▸ MAOA P21397 2/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.49
▸ P2RY14 Q15391 1/20 0.47

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
SCHEMBL13118539 0.91 HDAC6 (0.63) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL20208852 0.88 MAOB (0.66) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL19683684 0.85 MAOB (0.62) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL20208811 0.83 MAOB (0.60) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL27001622 0.82 ALDH1A1 (0.56) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL29939132 0.82 ALDH1A1 (0.56) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL20209146 0.80 ALDH1A1 (0.57) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL20209143 0.77 ALDH1A1 (0.53) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL5555143 0.77 MAOB (0.55) KDM4EMEN1NPC1ALDH1A1NFKB1
SCHEMBL13118548 0.76 MAOB (0.59) KDM4EMEN1NPC1ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12004419-B2 Electroactive compounds LG CHEM, LTD. (KR) 2024-06-04 — — US disclosed
CN-114940681-A Electroactive compounds 株式会社LG化学 2022-08-26 — — CN disclosed
CN-110023319-B Electroactive compounds 株式会社LG化学 2022-06-17 — — CN disclosed
US-20220093872-A1 Electroactive Compounds LG CHEM, LTD. (KR) 2022-03-24 — — US disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US disclosed
US-11239426-B2 Electroactive compounds LG CHEM, LTD. 2022-02-01 — — US disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 — — WO disclosed
WO-2018097937-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2018-05-31 — — WO disclosed
WO-2017210072-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 — — WO 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 (3 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-20220093872-A1 Electroactive Compounds KCNN3, KCNN2, HCN3 KDM4E 3945/4885MEN1 846/4885NPC1 2960/4885
US-12004419-B2 Electroactive compounds KCNN3, KCNN2, HCN3 KDM4E 3945/4885MEN1 846/4885NPC1 2960/4885
US-11239426-B2 Electroactive compounds KCNN2, HCN2, KCNN3 KDM4E 3818/4885MEN1 1066/4885NPC1 2541/4885

“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.