SCHEMBL3837594

SCHEMBL3837594

NC(=O)c1[c]ccc2c1nc(C(F)(F)F)n2CCN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
OPRK1 P41145 4/20 0.34
HPGD P15428 3/20 0.34
POLB P06746 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 1/20 0.34
KLK7 P49862 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3C2B O00750 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 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
SCHEMBL3837590 0.70 KMT2A (0.35) L3MBTL1ALDH1A1OPRK1KDM4EMEN1
SCHEMBL8601334 0.68 HTT (0.46) HTTL3MBTL1SMN1; SMN2OPRK1HPGD
SCHEMBL5235812 0.68 PIM1 (0.38)
SCHEMBL6023566 0.67 KDM4E (0.39) SMN1; SMN2KDM4ELMNA
SCHEMBL3858089 0.67 PARP1 (0.35) GAAKDM4EKMT2A
SCHEMBL2852531 0.66 KMT2A (0.49) HTTGAASMN1; SMN2HPGDPOLB
SCHEMBL2073469 0.66 HTT (0.47) HTTL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL3759146 0.66 HRH3 (0.33) KDM4E
SCHEMBL3839667 0.65 KMT2A (0.42) SMN1; SMN2OPRK1HPGDKDM4EHSD17B10
SCHEMBL3843007 0.63 SRC (0.39) OPRK1HPGDMEN1KMT2ACYP3A4

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
EP-1828207-B1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-28 EP disclosed
US-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-09-17 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-20090233919-A1 THIAZOLOPYRIDINONE DERIVATES AS MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R HTT 181/4885L3MBTL1 646/4885ALDH1A1 668/4885

“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.