SCHEMBL12562425

SCHEMBL12562425

CC(=O)c1sc2nc(C)c(CC(=O)c3ccccc3)c(C)c2c1N

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.83
NPC1 O15118 4/20 0.83
KMT2A Q03164 3/20 0.83
HTT P42858 3/20 0.83
NCOA3 Q9Y6Q9 1/20 0.83
CHRM4 P08173 8/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 2/20 0.51
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.46
ABCB1 P08183 1/20 0.46
IKBKB O14920 1/20 0.41

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
SCHEMBL431864 0.91 HTT (1.00) RAB9ANPC1KMT2AHTTNCOA3
SCHEMBL19769183 0.74 CHRM4 (1.00) RAB9ANPC1KMT2AHTTNCOA3
SCHEMBL3172346 0.71 HTT (0.55) RAB9ANPC1KMT2AHTTNCOA3
SCHEMBL425233 0.69 HTT (0.65) RAB9ANPC1KMT2AHTTNCOA3
SCHEMBL12562466 0.68 MAPT (0.84) RAB9ANPC1KMT2AHTTALDH1A1
SCHEMBL14955057 0.68 RAB9A (0.51) RAB9ANPC1KMT2AHTTNCOA3
SCHEMBL14955139 0.66 CHRM4 (0.68) RAB9ANPC1KMT2AHTTNCOA3
SCHEMBL6217994 0.65 MEN1 (0.53) KMT2AHTTALDH1A1KDM4EMEN1
SCHEMBL9540888 0.64 CHRM4 (0.69) CHRM4ALDH1A1KDM4EMAPT
SCHEMBL12562441 0.64 MEN1 (0.74) KMT2AHTTALDH1A1KDM4EMEN1

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-20110152301-A1 Compounds that Inhibit HIV Particle Formation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-23 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-20110152301-A1 Compounds that Inhibit HIV Particle Formation REV1, VPS51, FLOT1 RAB9A 378/4885NPC1 68/4885KMT2A 4150/4885

“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.