SCHEMBL3574116

SCHEMBL3574116

COc1cnc2cccc(N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.39
GFER P55789 1/20 0.39
PARP1 P09874 1/20 0.38
MAPT P10636 2/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP4K4 O95819 1/20 0.37
HPGD P15428 2/20 0.37
NQO2 P16083 2/20 0.36
ATM Q13315 2/20 0.36
DCPS Q96C86 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36

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 SCHEMBL3573190 0.98 HTT (0.41) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL29985292 0.86 NPC1 (0.41) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL15900332 0.86 NPC1 (0.41) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL1147899 0.81 RAB9A (0.42) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL18544285 0.81 NPC1 (0.42) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL14372225 0.80 NPC1 (0.40) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL3581533 0.79 ACHE (0.52) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL14400280 0.78 NPC1 (0.41) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL590146 0.77 NPC1 (0.40) HTTNPC1RAB9ANPSR1RXFP1
SCHEMBL592558 0.77 NPC1 (0.40) HTTNPC1RAB9ANPSR1RXFP1

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 15 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
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP claimed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO 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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 US disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 WO 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 (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-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B HTT 4178/4885NPC1 4043/4885RAB9A 2040/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA HTT 2438/4885NPC1 489/4885RAB9A 3294/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS HTT 2180/4885NPC1 452/4885RAB9A 3293/4885

“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.