SCHEMBL21658225

SCHEMBL21658225

N#Cc1ccc(-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 15/20 0.46
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 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
SCHEMBL22908052 0.95 SLC22A12 (0.41) SLC22A12XDHALDH1A1KDM4E
SCHEMBL22908011 0.93 SLC22A12 (0.45) SLC22A12CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL22065338 0.89 SLC22A12 (0.48) SLC22A12CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL19939315 0.89 MAPT (0.41) SLC22A12CYP11B1CYP11B2XDHALDH1A1
SCHEMBL22064790 0.86 ABCG2 (0.48) SLC22A12ALDH1A1LMNA
SCHEMBL19939351 0.85 ESR2 (0.44) SLC22A12XDHALDH1A1KDM4E
SCHEMBL21658277 0.85 ABCG2 (0.45) SLC22A12ALDH1A1LMNA
SCHEMBL19939330 0.85 ESR2 (0.44) SLC22A12XDHALDH1A1KDM4E
SCHEMBL21658388 0.85 ABCG2 (0.47) SLC22A12CYP11B2ALDH1A1LMNA
SCHEMBL22064797 0.84 ESR2 (0.40) SLC22A12XDHALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-09-30 — — US disclosed
US-20210210694-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-07-08 — — US disclosed
US-20210143344-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-05-13 — — US disclosed
US-10950801-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2021-03-16 — — US disclosed
US-20210020842-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 — — US disclosed
US-20200287142-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM LTD. (KR) 2020-09-10 — — US disclosed
US-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2020-06-11 — — US disclosed
WO-2020022771-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2020-01-30 — — 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-20210305516-A1 ORGANIC LIGHT-EMITTING DEVICE AOC2, RUVBL2, RUVBL1 SLC22A12 1431/4885CYP11B1 786/4885CYP11B2 656/4885
US-20200181096-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME CRY1, CYP1A1, AHR SLC22A12 4126/4885CYP11B1 483/4885CYP11B2 701/4885
US-20210020842-A1 ORGANIC LIGHT-EMITTING DEVICE OR10J3, OR51E2, LOXL1 SLC22A12 1976/4885CYP11B1 706/4885CYP11B2 359/4885

“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.

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