SCHEMBL390245

SCHEMBL390245

O=c1[nH]ccc2cc(-c3ccc(OC(F)(F)F)cc3)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
CHEK1 O14757 2/20 0.42
PDPK1 O15530 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
XDH P47989 1/20 0.38
ALPI P09923 1/20 0.38
KCNH2 Q12809 1/20 0.38
ABL1 P00519 2/20 0.38
BCR P11274 1/20 0.38

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
SCHEMBL391808 0.80 PDPK1 (0.57) PDPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL392148 0.78 ROCK1 (0.47) PDPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL390356 0.78 PDPK1 (0.42) HDAC6PDPK1NPC1RAB9AKDM4E
SCHEMBL386804 0.77 RAB9A (0.49) CHEK1PDPK1NPC1RAB9AKDM4E
SCHEMBL390192 0.75 KDM4E (0.47) PDPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL389801 0.74 STK17B (0.43) PDPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL1536398 0.73 ROCK1 (0.52) KDM4EPIM1CES1
SCHEMBL16676258 0.73 KDM4E (0.46) CHEK1KDM4EJAK2PIM1PIM2
SCHEMBL390588 0.69 PDGFRB (0.42) PDPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3860188 0.67 GHSR (0.51) NPC1JAK2PIM2ABL1BCR

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 HDAC6 1596/4885CHEK1 4499/4885PDPK1 2905/4885

“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.