SCHEMBL4874610

SCHEMBL4874610

Cc1nc(C(F)(F)F)sc1-c1ccc2cc(-c3c(C4CCCCC4)c4sc(C(=O)O)cc4n3CC(=O)NCCN3CCOCC3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MMP12 P39900 1/20 0.35
SMO Q99835 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 2/20 0.34
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
AVPR1B P47901 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
SCHEMBL4876068 0.92 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2HPGDKDM4E
SCHEMBL4874635 0.89 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2HPGDKDM4E
SCHEMBL4878870 0.87 PDE5A (0.42) ALDH1A1GAASMN1; SMN2HPGDKDM4E
SCHEMBL4877243 0.86 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10MMP12
SCHEMBL4874640 0.86 KCNH2 (0.32) KCNH2HRH3
SCHEMBL4874956 0.85 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2HPGDKDM4E
SCHEMBL4870548 0.84 CD274 (0.43) ALDH1A1HPGDKDM4EHSD17B10MMP12
SCHEMBL4867746 0.83 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHSD17B10MMP12
SCHEMBL4877105 0.83 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHSD17B10MMP12
SCHEMBL4877164 0.83 AVPR1B (0.44) ALDH1A1HPGDKDM4EHSD17B10NPC1

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 1357/4885GAA 66/4885SMN1; SMN2 1929/4885

“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.