SCHEMBL2849094

SCHEMBL2849094

S=[C]c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
FLT3 P36888 1/20 0.44
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
DAO P14920 2/20 0.42
HPGD P15428 2/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BRD4 O60885 1/20 0.42
DDO Q99489 1/20 0.42
CA2 P00918 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CHEK1 O14757 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
SCHEMBL9620368 0.82 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29694493 0.82 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL3769474 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL56372 0.78 CHEK1 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29763767 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL3809655 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL597869 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL723282 0.78 AOC3 (0.48) AOC3NPC1RAB9ALOXL2FLT3
Hydrochloric Acid SCHEMBL7697249 0.77 AOC3 (0.50) AOC3NPC1RAB9ALOXL2FLT3
Hydrogen Sulfide SCHEMBL29238602 0.77 AOC3 (0.47) AOC3NPC1RAB9ALOXL2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786079-B2 Substituted nonadepsipeptides AICURIS GMBH & CO. KG. (DE) 2010-08-31 US disclosed
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
US-20080058251-A1 Substituted nonadepsipeptides BAYER HEALTHCARE AG (DE) 2008-03-06 US disclosed
EP-1809653-A1 SUBSTITUTED NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006042654-A1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 WO disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20080058251-A1 Substituted nonadepsipeptides VIP, DNPEP, LNPEP AOC3 4203/4885NPC1 1181/4885RAB9A 2205/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 AOC3 623/4885NPC1 451/4885RAB9A 965/4885

“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.