SCHEMBL390192

SCHEMBL390192

COc1ccc(-c2cc3cc[nH]c(=O)c3s2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MCL1 Q07820 1/20 0.47
PDPK1 O15530 2/20 0.43
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
RAD52 P43351 2/20 0.40
PTPN1 P18031 1/20 0.40
KMT2A Q03164 1/20 0.40
GUSB P08236 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL389801 0.88 STK17B (0.43) KDM4EALDH1A1MCL1PDPK1NPC1
SCHEMBL390356 0.76 PDPK1 (0.42) KDM4EALDH1A1PDPK1NPC1HPGD
SCHEMBL386804 0.76 RAB9A (0.49) KDM4EALDH1A1PDPK1NPC1HPGD
SCHEMBL391808 0.76 PDPK1 (0.57) KDM4EALDH1A1PDPK1NPC1HPGD
SCHEMBL390245 0.75 HDAC6 (0.46) KDM4EALDH1A1PDPK1NPC1HPGD
SCHEMBL392148 0.71 ROCK1 (0.47) KDM4EALDH1A1PDPK1NPC1HPGD
SCHEMBL390588 0.70 PDGFRB (0.42) KDM4EALDH1A1PDPK1NPC1HPGD
SCHEMBL12497076 0.69 APP (0.54) KDM4EALDH1A1HPGDPDE4AMAPT
SCHEMBL9529073 0.68 L3MBTL1 (0.55) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL10436312 0.68 TNFRSF1A (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
CN-101460503-A Novel MCH receptor antagonists LILLY CO ELI (US) 2009-06-17 CN 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 (1 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R KDM4E 2661/4885ALDH1A1 1274/4885MCL1 2962/4885

“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.