SCHEMBL5068545

SCHEMBL5068545

COc1cc(-c2ccn[nH]c2=O)ccc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
HTT P42858 1/20 0.45
FYN P06241 2/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CIT O14578 1/20 0.42
ROCK2 O75116 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
P2RX7 Q99572 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL5070319 0.83 ITGB1 (0.52) ALDH1A1MAPTPOLBITGB1ITGA4
SCHEMBL5070312 0.79 HSD17B1 (0.44) HSD17B1HSD17B2HTTALDH1A1HPGD
SCHEMBL9400208 0.78 HSD17B1 (0.77) HSD17B1HSD17B2HTTALDH1A1HPGD
SCHEMBL5067708 0.77 ALDH1A1 (0.53) HTTALDH1A1KDM4ETSHR
SCHEMBL5068244 0.74 HSD17B10 (0.48) FYNALDH1A1HPGDKDM4EMAPT
SCHEMBL8380198 0.72 PDE4B (0.57) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL5070316 0.72 CHEK1 (0.51)
SCHEMBL10562583 0.72 CYP2C9 (0.49) ALDH1A1HPGDKDM4ETSHR
SCHEMBL13375033 0.72 NPC1 (0.41) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL2491302 0.72 RARA (0.43) ALDH1A1HPGDKDM4EMAPTLMNA

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 HSD17B1 1388/4885HSD17B2 1885/4885HTT 4356/4885

“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.