SCHEMBL91667

SCHEMBL91667

Cc1ccc(NC(=O)c2csc3ccccc23)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
PKM P14618 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 2/20 0.54
NFKB1 P19838 2/20 0.54
HTT P42858 2/20 0.54
NFKB2 Q00653 2/20 0.54

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
SCHEMBL10273941 0.89 MAPT (0.51) MAPTPKMRAB9ASMN1; SMN2NPC1
SCHEMBL91763 0.87 RAB9A (0.64) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL91651 0.87 RAB9A (0.56) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL10285850 0.86 MAOB (0.58) MAPTPKMHDAC3HDAC4HDAC1
SCHEMBL91765 0.85 PIN1 (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL91671 0.81 HDAC3 (0.54) MAPTPKMHDAC3HDAC4HDAC1
SCHEMBL10273942 0.80 MAOB (0.45) MAPTPKMHDAC3HDAC4HDAC1
SCHEMBL91757 0.80 HDAC3 (0.52) MAPTPKMHDAC3HDAC4HDAC1
SCHEMBL13581610 0.77 MAPT (0.71) MAPTPKMRAB9ASMN1; SMN2NPC1
SCHEMBL92222 0.77 RAB9A (0.65) MAPTPKMRAB9ANPC1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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 (3 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 4083/4885HDAC3 398/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885PKM 4112/4885HDAC3 432/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885PKM 4337/4885HDAC3 619/4885

“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.