SCHEMBL3583776

SCHEMBL3583776

NC1CCC(O)(C(=O)Nc2ccnc3ccsc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 7/20 0.44
KCNH2 Q12809 4/20 0.44
KDR P35968 7/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MET P08581 1/20 0.33
ADORA2B P29275 1/20 0.32

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
SCHEMBL3581535 0.80 UTS2R (0.41) UTS2RKCNH2ADORA2B
SCHEMBL13407402 0.72 KCNH2 (0.42) KCNH2
SCHEMBL20265411 0.66 ADORA2A (0.40) UTS2RKCNH2KDRADORA2B
SCHEMBL30666796 0.65 METAP1 (0.51) UTS2RKCNH2KDR
SCHEMBL18879043 0.63 HTT (0.40) UTS2RKDRADORA2B
SCHEMBL28778850 0.63 ROCK2 (0.53)
SCHEMBL29715864 0.62 PRKCI (0.47) KCNH2
SCHEMBL1497897 0.60 MEN1 (0.44) KDRADORA2B
SCHEMBL1150804 0.60 KDR (0.42) KDRMETADORA2B
Hydrochloric Acid SCHEMBL6196266 0.59 MEN1 (0.43) KDRADORA2B

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 UTS2R 1037/4885KCNH2 2854/4885KDR 4338/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS UTS2R 1599/4885KCNH2 3731/4885KDR 4561/4885

“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.