SCHEMBL5068244

SCHEMBL5068244

COc1cccc(-c2ccn[nH]c2=O)c1NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ATM Q13315 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
AHR P35869 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL11363023 0.78 METAP2 (0.45) HSD17B10ALOX15KDM4EALDH1A1SMN1; SMN2
SCHEMBL5067767 0.76 ALDH1A1 (0.41) HSD17B10ALOX15KDM4EALDH1A1SMN1; SMN2
SCHEMBL10562583 0.76 CYP2C9 (0.49) HSD17B10KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL7500143 0.74 KDM4E (0.53) HSD17B10ALOX15KDM4EALDH1A1SMN1; SMN2
SCHEMBL5068545 0.74 HSD17B1 (0.52) KDM4EALDH1A1MAPTHPGDADORA3
SCHEMBL5071237 0.73 KMT2A (0.40) KDM4EALDH1A1SMN1; SMN2MAPK1MAPT
SCHEMBL5070312 0.72 HSD17B1 (0.44) HSD17B10KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL27659947 0.69 ALDH1A1 (0.43) HSD17B10KDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL3208371 0.69 MAPT (0.52) HSD17B10ALOX15KDM4EALDH1A1ATM
SCHEMBL5480782 0.69 ATM (0.56) HSD17B10ALOX15KDM4EALDH1A1ATM

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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 HSD17B10 3097/4885ALOX15 496/4885KDM4E 2794/4885

“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.