SCHEMBL3574247

SCHEMBL3574247

COc1cccc2nccc(N)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.51
TGFBR1 P36897 5/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NCF1 P14598 1/20 0.44
ELANE P08246 2/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACHE P22303 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
PLAU P00749 1/20 0.42
EGFR P00533 1/20 0.41
NQO2 P16083 1/20 0.41

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
Hydrochloric Acid SCHEMBL3574160 0.98 DCPS (0.50) DCPSTGFBR1ALDH1A1KDM4EHPGD
SCHEMBL8781926 0.93 DCPS (0.47) DCPSTGFBR1ALDH1A1KDM4EHPGD
SCHEMBL3583657 0.79 TGFBR1 (0.46) DCPSTGFBR1ALDH1A1KDM4EHPGD
SCHEMBL11729820 0.79 TGFBR1 (0.48) DCPSTGFBR1ALDH1A1KDM4EHPGD
SCHEMBL8351780 0.79 KDM4E (0.47) DCPSTGFBR1ALDH1A1KDM4EHPGD
SCHEMBL29661918 0.78 NCF1 (0.56) ALDH1A1KDM4EHPGDNCF1TDP1
SCHEMBL638848 0.78 NCF1 (0.56) ALDH1A1KDM4EHPGDNCF1TDP1
SCHEMBL18378884 0.76 TGFBR1 (0.45) DCPSTGFBR1ALDH1A1KDM4EHPGD
SCHEMBL18312193 0.75 DCPS (0.60) DCPSALDH1A1KDM4EHPGDACHE
SCHEMBL8781923 0.75 TGFBR1 (0.43) DCPSTGFBR1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US claimed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP claimed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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-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
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 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 DCPS 2022/4885TGFBR1 3221/4885ALDH1A1 2290/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS DCPS 1974/4885TGFBR1 4318/4885ALDH1A1 2504/4885

“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.