SCHEMBL13078428

SCHEMBL13078428

CCc1nc(-c2ncccn2)sc1C(=O)NCC1CC2CCCC(C2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.36
THRB P10828 1/20 0.35
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX7 Q99572 3/20 0.33
CHRM4 P08173 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 2/20 0.33
NR3C1 P04150 1/20 0.33
PDE4B Q07343 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL3748757 0.87 CNR1 (0.45) CNR1CNR2KDM4ENPC1ALDH1A1
SCHEMBL3748572 0.79 MEN1 (0.48) KDM4EALDH1A1HPGDP2RX7MEN1
SCHEMBL3747456 0.77 CNR2 (0.43) CNR1CNR2P2RX7
SCHEMBL3738851 0.75 NPC1 (0.50) CNR1CNR2NPC1RAB9A
SCHEMBL3745216 0.73 PTGDR2 (0.42) THRBNPC1RAB9A
SCHEMBL3747362 0.73 NAMPT (0.39) KDM4ENPC1HPGDRAB9AP2RX7
SCHEMBL3748773 0.72 EGLN1 (0.47) PPARATHRBALDH1A1HPGDRAB9A
SCHEMBL3751397 0.72 KDM4E (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL3749725 0.72 KMT2A (0.51) CNR1CNR2NPC1ALDH1A1HPGD
SCHEMBL3749711 0.71 SCN9A (0.35) KDM4ENPC1ALDH1A1HPGDP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 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-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 PPARA 91/4885THRB 225/4885CNR1 18/4885

“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.