SCHEMBL21213014

SCHEMBL21213014

c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3ncccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.40
▸ KMT2A Q03164 1/20 0.37
▸ NPY5R Q15761 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ABCG2 Q9UNQ0 6/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 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
SCHEMBL21213083 0.98 DHODH (0.44) DHODHKMT2ANPY5RALDH1A1HPGD
SCHEMBL12014870 0.91 DHODH (0.46) DHODHKMT2AALDH1A1HPGDKDM4E
SCHEMBL21213330 0.91 HTR2B (0.39) DHODHNPY5RBACE1GABRPGABRD
SCHEMBL21213033 0.89 NPY5R (0.40) DHODHKMT2ANPY5RALDH1A1KDM4E
SCHEMBL21213085 0.87 TDO2 (0.39) DHODHNPY5RABCG2
SCHEMBL21213082 0.87 DHODH (0.34) DHODHKMT2ANPY5RALDH1A1HPGD
SCHEMBL21924321 0.87 NPY5R (0.37) DHODHKMT2ANPY5RALDH1A1KDM4E
SCHEMBL21212875 0.86 ALDH1A1 (0.39) NPY5RALDH1A1HPGDKDM4EMAPT
SCHEMBL19161427 0.85 DHODH (0.34) DHODHKMT2ANPY5R
SCHEMBL19162607 0.84 DHODH (0.33) DHODHKMT2AGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 — — US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 — — 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-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1B1, CYP2C9, CYP3A4 DHODH 323/4885KMT2A 1220/4885NPY5R 3563/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 DHODH 323/4885KMT2A 1220/4885NPY5R 3563/4885

“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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