SCHEMBL15430845

SCHEMBL15430845

c1ccc2c(c1)[nH]c1c2ccc2ocnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.46
▸ TDO2 P48775 4/20 0.45
▸ GABRP O00591 3/20 0.45
▸ GABRD O14764 3/20 0.45
▸ GABRA1 P14867 3/20 0.45
▸ GABRB1 P18505 3/20 0.45
▸ GABRG2 P18507 3/20 0.45
▸ GABRB3 P28472 3/20 0.45
▸ GABRA5 P31644 3/20 0.45
▸ GABRA3 P34903 3/20 0.45
▸ GABRA2 P47869 3/20 0.45
▸ GABRB2 P47870 3/20 0.45
▸ GABRA4 P48169 3/20 0.45
▸ GABRE P78334 3/20 0.45
▸ GABRA6 Q16445 3/20 0.45
▸ GABRG1 Q8N1C3 3/20 0.45
▸ GABRG3 Q99928 3/20 0.45
▸ GABRQ Q9UN88 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45

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
SCHEMBL30636673 1.00 KIF11 (0.46) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL29010434 0.76 GABRA1 (0.47) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL2044016 0.74 KIF11 (0.46) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL29378455 0.72 KIF11 (0.71) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL191347 0.72 KIF11 (0.71) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL13563976 0.72 KIF11 (0.78) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL30560782 0.71 KIF11 (0.55) KIF11TDO2GABRPGABRDGABRA1
Carbazole SCHEMBL546743 0.71 ALDH1A1 (0.50) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL2050391 0.71 KIF11 (0.55) KIF11TDO2GABRPGABRDGABRA1
SCHEMBL4497738 0.70 GABRP (0.51) KIF11TDO2GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854719-A Boron-containing polycyclic aromatic compounds and uses thereof 陕西蒲城海泰新材料产业有限责任公司 2023-10-10 — — CN disclosed
US-10236451-B2 Compound and organic electroluminescent device comprising the same DOOSAN CORPORATION (KR) 2019-03-19 — — US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 — — US disclosed
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME DOOSAN CORPORATION (KR) 2015-06-18 — — US disclosed
WO-2014010810-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 (KR) 2014-01-16 — — 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-10236451-B2 Compound and organic electroluminescent device comprising the same VDAC1, PIEZO1, SLCO4C1 KIF11 2210/4885TDO2 1707/4885GABRP 1109/4885
US-20150171344-A1 NOVEL COMPOUND AND ELECTROLUMINESCENT DEVICE INCLUDING SAME VDAC1, ALDH2, VDAC2 KIF11 2310/4885TDO2 1202/4885GABRP 1653/4885

“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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