SCHEMBL21399001

SCHEMBL21399001

c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(-c4ccc(-c5nc6ccccc6s5)cc4)cc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.55
▸ NPC1 O15118 6/20 0.55
▸ APP P05067 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MMP9 P14780 3/20 0.55
▸ MMP8 P22894 3/20 0.55
▸ GLA P06280 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ NOD2 Q9HC29 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TNF P01375 1/20 0.51
▸ NOD1 Q9Y239 1/20 0.51

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
SCHEMBL22461061 1.00 RAB9A (0.55) RAB9ANPC1APPKDM4EMAPT
SCHEMBL24514780 0.86 APP (0.72) RAB9ANPC1APPKDM4EMAPT
SCHEMBL13067565 0.86 APP (0.72) RAB9ANPC1APPKDM4EMAPT
SCHEMBL18308611 0.86 MEN1 (0.60) RAB9ANPC1APPKDM4EMAPT
SCHEMBL23606715 0.85 APP (0.62) RAB9ANPC1APPKDM4EMAPT
SCHEMBL754574 0.84 RAB9A (0.73) RAB9ANPC1APPKDM4EMAPT
SCHEMBL31208337 0.84 RAB9A (0.59) RAB9ANPC1APPKDM4EMAPT
SCHEMBL25303434 0.84 RAB9A (0.59) RAB9ANPC1APPKDM4EMAPT
SCHEMBL25897450 0.84 RAB9A (0.59) RAB9ANPC1APPKDM4EMAPT
SCHEMBL25897016 0.84 RAB9A (0.59) RAB9ANPC1APPKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11737358-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-08-22 — — US disclosed
US-11737358-B2 Compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2023-08-22 — — US disclosed
US-20200303655-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-24 — — US disclosed
WO-2019182402-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-26 — — 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 (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-11737358-B2 Compound and organic light emitting device comprising same ARNT, CYP1A1, AHR RAB9A 2939/4885NPC1 1774/4885APP 1895/4885
US-20200303655-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME ARNT, CYP1A1, AHR RAB9A 2939/4885NPC1 1774/4885APP 1895/4885

“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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