SCHEMBL21174591

SCHEMBL21174591

Clc1nc(-c2cc3ccccc3c3ccccc23)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.57
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP3A4 P08684 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPK1 P28482 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP11B1 P15538 1/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL17299617 0.81 METAP1 (0.58) METAP1MAOAMAOBCYP3A4HSD17B10
SCHEMBL19169883 0.79 GPR3 (0.53) CYP3A4HSD17B10CYP1A2CYP2D6CYP2C19
SCHEMBL13314087 0.79 CYP11B1 (0.52) MAOACYP3A4HSD17B10CYP1A2CYP2D6
SCHEMBL19320194 0.79 MAPT (0.46) METAP1MAOACYP3A4HSD17B10CYP1A2
SCHEMBL17445461 0.79 METAP1 (0.49) METAP1MAOAMAOBCYP3A4HSD17B10
SCHEMBL3109055 0.79 CYP1A2 (0.64) METAP1CYP3A4HSD17B10CYP1A2CYP2D6
SCHEMBL24030117 0.78 POLB (0.46) CYP3A4HSD17B10CYP1A2MAPK1TDP1
SCHEMBL29751137 0.78 POLB (0.46) CYP3A4HSD17B10CYP1A2MAPK1TDP1
SCHEMBL28541027 0.78 CYP11B1 (0.44) MAOAMAOBCYP3A4HSD17B10CYP1A2
SCHEMBL17084859 0.78 CYP11B1 (0.44) CYP3A4HSD17B10CYP1A2MAPK1TDP1

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 11 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-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2023-02-14 US disclosed
EP-3960733-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-03-02 EP disclosed
EP-3960737-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2022-03-02 EP disclosed
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
CN-109890812-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2021-11-23 CN disclosed
CN-109890811-B Benzocarbazole-based compound and organic light-emitting device including the same 株式会社LG化学 2021-10-26 CN disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 US disclosed
US-20190237680-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2019-08-01 US disclosed
EP-3514152-A1 BENZOCARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2019-07-24 EP 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 (4 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 METAP1 4018/4885MAOA 813/4885MAOB 397/4885
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 METAP1 3913/4885MAOA 354/4885MAOB 517/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 METAP1 3913/4885MAOA 354/4885MAOB 517/4885
US-11581496-B2 Benzocarbazole-based compound and organic light-emitting device comprising same CYP1B1, CYP2C9, CYP3A4 METAP1 4018/4885MAOA 813/4885MAOB 397/4885

“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.