SCHEMBL13326795

SCHEMBL13326795

CCc1cnc2n1CCS2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
RAB9A P51151 4/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL12651955 0.72 ALDH1A1 (0.47) MAPTRAB9AHTTTSHRRECQL
SCHEMBL12797775 0.69 ALDH1A1 (0.54) MAPTRAB9AHTTTSHRRECQL
SCHEMBL4031760 0.67 ALDH1A1 (0.44) MAPTRAB9AHTTTSHRRECQL
SCHEMBL15113582 0.66 ALDH1A1 (0.50) MAPTRAB9AHTTTSHRRECQL
SCHEMBL18716374 0.66 ALDH1A1 (0.54) MAPTRAB9AHTTTSHRRECQL
SCHEMBL10234138 0.64 MAPT (0.48) MAPTRAB9AHTTTSHRALDH1A1
SCHEMBL20078217 0.63 ALDH1A1 (0.54) MAPTHTTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10233534 0.62 CPB2 (0.39)
SCHEMBL13193521 0.61 CPB2 (0.39)
SCHEMBL13268068 0.59 MAPT (0.56) MAPTRAB9ARECQLALDH1A1HSD17B10

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-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 MAPT 2060/4885RAB9A 3278/4885HTT 2229/4885

“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.