SCHEMBL3579681

SCHEMBL3579681

Cn1ccc2ccc[c]c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.41
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41
BRPF1 P55201 1/20 0.41
CREBBP Q92793 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
NQO2 P16083 1/20 0.31
CRBN Q96SW2 1/20 0.31
MIF P14174 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
SCHEMBL1419206 0.72 NQO2 (0.34) NQO2
SCHEMBL1225367 0.70 GAA (0.42) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL3586201 0.69 SLC9A1 (0.38) BRD9BRD4BRPF1KDM4EALDH1A1
SCHEMBL29705981 0.68 GAA (0.47) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL123411 0.68 GAA (0.47) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL27177495 0.68 ACVR1 (0.40) KDM4EALDH1A1GAA
SCHEMBL1587165 0.67 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20975432 0.67 KDM4E (0.48) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL10005837 0.64 BRD4 (0.42) BRD9BRD4TAF1BRPF1CREBBP
SCHEMBL455151 0.63 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US claimed
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US 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 (3 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-20060189604-A1 Compounds ELANE, PIGS, SDHA BRD9 2899/4885BRD4 795/4885TAF1 3594/4885
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 BRD9 290/4885BRD4 18/4885TAF1 4581/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS BRD9 2691/4885BRD4 1649/4885TAF1 3678/4885

“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.