SCHEMBL3579335

SCHEMBL3579335

[O-][n+]1ccc2cccc(Br)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
BCHE P06276 2/20 0.39
GPR84 Q9NQS5 4/20 0.37
BACE1 P56817 1/20 0.32
AHR P35869 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 2/20 0.30
HSP90AA1 P07900 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
APAF1 O14727 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL31280106 1.00 ACHE (0.39) ACHEBCHEGPR84BACE1AHR
SCHEMBL248055 0.84 GPR84 (0.37) ACHEBCHEGPR84BACE1AHR
Hydrochloric Acid SCHEMBL6435926 0.82 GPR84 (0.36) ACHEBCHEGPR84BACE1AHR
SCHEMBL18965190 0.76 ACHE (0.39) ACHEBCHEBACE1AHRCA1
SCHEMBL30727434 0.76 CYP2A6 (0.50) ACHEBCHEGPR84AHRCA9
SCHEMBL3696572 0.76 CYP2A6 (0.50) ACHEBCHEGPR84KDM4EALDH1A1
SCHEMBL6793116 0.76 ACHE (0.41) ACHEBCHEGPR84MAPTKDM4E
SCHEMBL13659534 0.75 ALDH1A1 (0.52) GPR84ALDH1A1
SCHEMBL31723362 0.73 GPR84 (0.30) GPR84
SCHEMBL25445732 0.72 CA1 (0.44) ACHEBCHEGPR84CA1CA2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
EP-3844151-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-08-23 EP disclosed
US-20230144101-A1 LIGHT-EMITTING MATERIAL WITH A POLYCYCLIC LIGAND Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-11 US disclosed
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 THERAPEUTICS, INC. (US) 2023-03-16 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos C4 THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
EP-3953332-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS C4 Therapeutics, Inc. (US) 2022-02-16 EP disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210230170-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-07-29 US disclosed
EP-3844151-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-07-07 EP disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-7498326-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-03-03 US disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (9 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-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 ACHE 751/4885BCHE 1478/4885GPR84 155/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 ACHE 751/4885BCHE 1478/4885GPR84 155/4885
US-11407732-B1 Tricyclic degraders of Ikaros and Aiolos CRBN, IKZF1, IKZF3 ACHE 967/4885BCHE 1041/4885GPR84 3984/4885
US-20230082430-A1 TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS CRBN, IKZF1, IKZF3 ACHE 967/4885BCHE 1041/4885GPR84 3984/4885
US-20210230170-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ACHE 4808/4885BCHE 4534/4885GPR84 2598/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 ACHE 751/4885BCHE 1478/4885GPR84 155/4885
US-20230144101-A1 LIGHT-EMITTING MATERIAL WITH A POLYCYCLIC LIGAND TRPC4, CRY1, TRPC1 ACHE 939/4885BCHE 2981/4885GPR84 3262/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA ACHE 2127/4885BCHE 459/4885GPR84 1790/4885
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 ACHE 4191/4885BCHE 4290/4885GPR84 1760/4885

“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.