SCHEMBL390356

SCHEMBL390356

O=c1[nH]ccc2cc(-c3ccc(F)c(F)c3)sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.42
RAB9A P51151 5/20 0.39
NPC1 O15118 3/20 0.39
POLB P06746 1/20 0.39
STK17B O94768 1/20 0.38
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
PRF1 P14222 1/20 0.37
GPR84 Q9NQS5 1/20 0.35
ACLY P53396 1/20 0.35
ATIC P31939 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
TGFBR1 P36897 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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 0.85 PDPK1 (0.57) PDPK1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL389801 0.84 STK17B (0.43) PDPK1RAB9ANPC1STK17BHSD17B2
SCHEMBL386804 0.82 RAB9A (0.49) PDPK1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL392533 0.78 PDPK1 (0.38) PDPK1HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL390245 0.78 HDAC6 (0.46) PDPK1RAB9ANPC1POLBSTK17B
SCHEMBL390192 0.76 KDM4E (0.47) PDPK1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL390588 0.73 PDGFRB (0.42) PDPK1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL392148 0.71 ROCK1 (0.47) PDPK1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL389952 0.67 PARP1 (0.38) RAB9ANPC1POLB
SCHEMBL13361438 0.67 PARP1 (0.38) PDPK1RAB9ANPC1KDM4EALDH1A1

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 2 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

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 PDPK1 2905/4885RAB9A 602/4885NPC1 1164/4885

“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.