SCHEMBL5163659

SCHEMBL5163659

COC(=O)CCc1cnc(N2CCCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.39
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL5163653 0.99 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5163538 0.83 OPRK1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AHRH3
SCHEMBL5161507 0.83 HRH3 (0.40) ALDH1A1MEN1KMT2AHRH3
Hydrochloric Acid SCHEMBL5160939 0.82 HRH3 (0.39) ALDH1A1MEN1KMT2AHRH3
SCHEMBL5418202 0.82 HRH3 (0.44) ALDH1A1HRH3
Hydrochloric Acid SCHEMBL5158987 0.81 HRH3 (0.43) ALDH1A1HRH3
Hydrochloric Acid SCHEMBL5161930 0.81 HRH3 (0.43) ALDH1A1HRH3
Hydrochloric Acid SCHEMBL5161121 0.80 HRH3 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5161501 0.79 HRH3 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5418198 0.79 HRH3 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 ALDH1A1 471/4885SMN1; SMN2 3016/4885MEN1 711/4885

“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.