SCHEMBL4246510

SCHEMBL4246510

O=C(Nc1ccc(-c2n[nH]c(=S)o2)c(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CASP3 P42574 1/20 0.44
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.42
RXFP1 Q9HBX9 3/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
PTPN1 P18031 1/20 0.41
JAK1 P23458 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL4247020 0.87 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4ECASP3
SCHEMBL4249127 0.85 HPGD (0.49) ALDH1A1HPGDHSD17B10KDM4ECASP3
SCHEMBL4244796 0.82 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10KDM4ECASP3
SCHEMBL13878312 0.80 HPGD (0.48) ALDH1A1HPGDHSD17B10KDM4ECASP3
SCHEMBL4238485 0.80 PTPN1 (0.59) HPGDHSD17B10KDM4ENPC1POLB
SCHEMBL4246473 0.78 MEN1 (0.64) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL4244936 0.72 HPGD (0.48) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL4246246 0.72 HPGD (0.47) ALDH1A1HPGDHSD17B10CASP3RXFP1
SCHEMBL4241869 0.71 CHRNA7 (0.71)
SCHEMBL4244065 0.71 CHRNA7 (0.71)

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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 ALDH1A1 780/4885HPGD 1075/4885HSD17B10 1668/4885

“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.