SCHEMBL19626519

SCHEMBL19626519

CCOc1ccc(-c2csc(C)n2)c(N2CCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
PDE1B Q01064 3/20 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
SCHEMBL19625508 0.87 MEN1 (0.44) HTTMEN1KMT2AMAPTNPC1
SCHEMBL19626664 0.80 ALDH1A1 (0.44) HTTMEN1KMT2AMAPTNPC1
SCHEMBL4530178 0.80 MEN1 (0.45) HTTMEN1KMT2AMAPTNPC1
SCHEMBL17626017 0.80 MEN1 (0.45) HTTMEN1KMT2AMAPTNPC1
SCHEMBL19626507 0.78 AR (0.45) HTTMEN1KMT2AMAPTNPC1
SCHEMBL19626563 0.78 HTT (0.59) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL19626562 0.76 HTT (0.56) HTTMEN1KMT2AMAPTTP53
SCHEMBL30180181 0.73 MEN1 (0.50) HTTMEN1KMT2AMAPTNPC1
SCHEMBL19626604 0.72 HTT (0.53) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL15075697 0.72 MAPT (0.43) HTTMEN1KMT2AMAPTNPC1

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-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HTT 3968/4885MEN1 4625/4885KMT2A 3504/4885

“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.