SCHEMBL5067708

SCHEMBL5067708

COc1cc(-c2ccn[nH]c2=O)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 1/20 0.47
CHEK1 O14757 13/20 0.46
HTT P42858 1/20 0.39
MAP3K11 Q16584 1/20 0.38
GAA P10253 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
SCHEMBL5070316 0.79 CHEK1 (0.51) CHEK1
SCHEMBL8380198 0.79 PDE4B (0.57) ALDH1A1TSHRKDM4E
SCHEMBL2491302 0.78 RARA (0.43) ALDH1A1CYP3A4HSD17B10KDM4EGAA
SCHEMBL3344619 0.78 LMNA (0.50) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL5068545 0.77 HSD17B1 (0.52) ALDH1A1TSHRKDM4EHTT
SCHEMBL5067710 0.75 TLK2 (0.46) ALDH1A1CYP3A4CHEK1HTTGAA
SCHEMBL27659963 0.75 GAA (0.43) ALDH1A1TSHRKDM4ECHEK1HTT
SCHEMBL14484688 0.75 SCN4A (0.59) KDM4EGAA
SCHEMBL3342950 0.75 BRD4 (0.43) ALDH1A1CYP3A4HSD17B10TDP1KDM4E
SCHEMBL27659947 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4HSD17B10TDP1KDM4E

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 ALDH1A1 431/4885CYP3A4 1176/4885TSHR 4109/4885

“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.