SCHEMBL3583657

SCHEMBL3583657

COc1cccc2nccc(Br)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.46
EGFR P00533 4/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
DCPS Q96C86 1/20 0.44
NQO2 P16083 2/20 0.41
ELANE P08246 1/20 0.41
GAK O14976 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL3574247 0.79 DCPS (0.51) TGFBR1EGFRKDM4EALDH1A1HPGD
SCHEMBL8351780 0.79 KDM4E (0.47) TGFBR1EGFRKDM4EALDH1A1HPGD
SCHEMBL11729820 0.79 TGFBR1 (0.48) TGFBR1EGFRKDM4EALDH1A1HPGD
SCHEMBL3272699 0.77 MEN1 (0.38) EGFRNQO2GAKPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL3574160 0.77 DCPS (0.50) TGFBR1EGFRKDM4EALDH1A1HPGD
SCHEMBL18378884 0.76 TGFBR1 (0.45) TGFBR1KDM4EALDH1A1HPGDDCPS
SCHEMBL24891144 0.76 ELANE (0.44) ALDH1A1ELANE
SCHEMBL8781926 0.75 DCPS (0.47) TGFBR1KDM4EALDH1A1HPGDDCPS
SCHEMBL8781923 0.75 TGFBR1 (0.43) TGFBR1EGFRKDM4EALDH1A1HPGD
SCHEMBL26317662 0.75 TGFBR1 (0.45) TGFBR1KDM4EALDH1A1HPGDDCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US 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

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-20060189604-A1 Compounds ELANE, PIGS, SDHA TGFBR1 3221/4885EGFR 2727/4885KDM4E 3723/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS TGFBR1 4318/4885EGFR 4166/4885KDM4E 4273/4885

“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.