SCHEMBL23099000

SCHEMBL23099000

c1ccc2cc(-c3cccc4c3[nH]c3ccccc34)ncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ HTR2B P41595 3/20 0.48
▸ HTR5A P47898 3/20 0.48
▸ KIF11 P52732 4/20 0.47
▸ BTK Q06187 1/20 0.43
▸ TDO2 P48775 6/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GABRB1 P18505 1/20 0.43

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
SCHEMBL23098937 0.90 NPC1 (0.50) BCHENPC1HTR2BHTR5ABTK
SCHEMBL29891581 0.81 HTR2B (0.65) BCHEHTR2BHTR5ATDO2KDM4E
SCHEMBL731645 0.79 NPC1 (0.62) NPC1BTKKDM4EMEN1CYP1A2
SCHEMBL25822165 0.79 BCHE (0.55) BCHEHTR2BHTR5AKIF11TDO2
SCHEMBL28122171 0.77 BCHE (0.48) BCHEHTR2BHTR5AKIF11TDO2
SCHEMBL10935819 0.76 KIF11 (0.51) BCHEHTR2BHTR5AKIF11PARP14
SCHEMBL29986638 0.76 KIF11 (0.51) BCHEHTR2BHTR5AKIF11PARP14
SCHEMBL29733506 0.76 KIF11 (0.63) BCHEKIF11GABRPGABRDALDH1A1
SCHEMBL28271036 0.76 NPC1 (0.74) NPC1BTKKDM4ECYP1A2
SCHEMBL208113 0.76 KIF11 (0.63) BCHEKIF11GABRPGABRDALDH1A1

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-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-08-22 — — US disclosed
US-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-08-22 — — US disclosed
EP-3621971-B1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-23 — — EP disclosed
US-20210079024-A1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-18 — — 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-20210079024-A1 CARBAZOLE-BASED BODIPYS FOR ORGANIC ELECTROLUMINESCENT DEVICES CYP1B1, ECI1, FIS1 BCHE 2575/4885NPC1 797/4885HTR2B 2016/4885
US-11731990-B2 Carbazole-based Bodipys for organic electroluminescent devices CYP1B1, ECI1, FIS1 BCHE 2575/4885NPC1 797/4885HTR2B 2016/4885

“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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