SCHEMBL5151876

SCHEMBL5151876

Cc1ccc(NC(=O)Nc2ccccc2CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
NPC1 O15118 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 1/20 0.57
PTGER3 P43115 1/20 0.53
POLB P06746 1/20 0.52
PTGS2 P35354 2/20 0.51
CXCR2 P25025 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
STING1 Q86WV6 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
CASR P41180 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL5153133 0.89 TP53 (0.59) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL5853228 0.86 HTT (0.75) RAB9ANPC1SMN1; SMN2HTTPTGER3
SCHEMBL5632774 0.85 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL7166145 0.83 PTGS2 (0.63) RAB9ANPC1PTGS2NR1H4HPGD
SCHEMBL5991743 0.83 PTGS2 (0.63) RAB9ANPC1POLBPTGS2NR1H4
SCHEMBL13329758 0.80 ALDH1A1 (0.63) SMN1; SMN2POLBPTGS2NR1H4ALDH1A1
SCHEMBL366747 0.79 SMN1; SMN2 (0.74) RAB9ANPC1SMN1; SMN2CXCR2MEN1
SCHEMBL5852186 0.78 DDX3X (0.70) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL11028218 0.78 HTT (0.77) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL27581406 0.77 POLB (0.64) RAB9ASMN1; SMN2HTTPOLBNR1H4

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 RAB9A 1984/4885NPC1 3300/4885SMN1; SMN2 4245/4885

“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.