SCHEMBL4538013

SCHEMBL4538013

CC(C)(C)[Si](C)(C)OCCOc1ncc(C=O)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KCNJ1 P48048 1/20 0.31
LTA4H P09960 1/20 0.30

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
SCHEMBL23146200 0.79 TDP1 (0.38) TDP1ALDH1A1KDM4EKCNJ1LTA4H
SCHEMBL20500556 0.78 DUT (0.33) DUTCA12CA1CA2CA9
SCHEMBL7713830 0.73 TDP1 (0.41) TDP1ALDH1A1KDM4EKCNJ1
SCHEMBL22020713 0.72 TDP1 (0.32) TDP1ALDH1A1KDM4E
SCHEMBL2141162 0.71 ALDH1A1 (0.41) DUTCA12CA1CA2CA9
SCHEMBL16935016 0.69 ALDH1A1 (0.37) TDP1ALDH1A1KDM4EKCNJ1
SCHEMBL4892445 0.69
SCHEMBL664995 0.69 ALDH1A1 (0.50) DUTALDH1A1KDM4E
SCHEMBL20391402 0.69 DUT (0.42) DUTALDH1A1
SCHEMBL738265 0.68 DUT (0.35) DUTCA12CA1CA2CA9

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-20090088457-A1 Primary Amines as Renin Inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2009-04-02 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-20090088457-A1 Primary Amines as Renin Inhibitors REN, ACE, AGTR1 DUT 1352/4885TDP1 2457/4885CA12 3561/4885

“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.