SCHEMBL10273941

SCHEMBL10273941

Cc1ccc(NC(=O)c2csc3ccc(C)cc23)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
PKM P14618 1/20 0.51
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
CISD2 Q8N5K1 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL10273942 0.90 MAOB (0.45) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL91667 0.89 MAPT (0.55) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL92621 0.86 RAB9A (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14772097 0.83 CA2 (0.41) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL92620 0.83 RAB9A (0.46) MAPTNPC1RAB9ASMN1; SMN2TAS1R3
SCHEMBL25464445 0.81 CA2 (0.47) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL14772096 0.80 CA2 (0.39) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL92608 0.80 RAB9A (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL25462186 0.77 POLB (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL91651 0.76 RAB9A (0.56) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4775/4885PKM 4083/4885NPC1 680/4885

“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.