SCHEMBL6500380

SCHEMBL6500380

CC(C)(C)C(CC(=O)O)(NC(=O)c1cccc(N2CCN(c3ncccn3)CC2)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
SLC6A7 Q99884 1/20 0.38

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
SCHEMBL6499251 0.87 SFRP1 (0.42) KAT6ALMNAALDH1A1MAPTGLA
SCHEMBL6504451 0.85 KAT6A (0.42) KAT6ALMNAMAPTGLAATM
SCHEMBL6500217 0.82 KAT6A (0.44) KAT6ASMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL6497223 0.80 DRD2 (0.41) SMN1; SMN2LMNAALDH1A1MAPK1MAPT
SCHEMBL6496651 0.78 KAT6A (0.47) KAT6ASMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL383159 0.77 ITGB3 (0.44) MAPTGLAATMTDP1KDM4E
SCHEMBL6500444 0.77 KAT6A (0.39) KAT6AKMT2A
SCHEMBL6498423 0.76 DRD2 (0.40) KMT2A
SCHEMBL383096 0.74 ITGB3 (0.47) KMT2A
SCHEMBL6496630 0.74 ITGB3 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US claimed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 KAT6A 1672/4885SMN1; SMN2 1363/4885LMNA 1586/4885

“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.