SCHEMBL716375

SCHEMBL716375

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(NCc4ccccc4)cc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)oc2ccc(NCc3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TEAD4 Q15561 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31

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
SCHEMBL719304 0.99 ALOX15 (0.38) ALOX15ALDH1A1GAAL3MBTL1TEAD4
SCHEMBL719424 0.94 TEAD4 (0.37) ALOX15ALDH1A1L3MBTL1TEAD4PTGDR2
SCHEMBL720867 0.90 KMT2A (0.34) ALDH1A1L3MBTL1TEAD4TP53TSHR
SCHEMBL718844 0.88 KDM4E (0.38) ALDH1A1L3MBTL1MAOBTSHR
SCHEMBL721953 0.88 DGAT1 (0.36) L3MBTL1TEAD4TSHR
SCHEMBL721591 0.88 TP53 (0.42) ALDH1A1TP53
SCHEMBL718770 0.87 KMT2A (0.35) ALDH1A1TEAD4TP53TSHR
SCHEMBL718427 0.87 KMT2A (0.35) ALDH1A1GAATEAD4TP53TSHR
SCHEMBL719968 0.87 NPC1 (0.38) ALDH1A1L3MBTL1TEAD4CA12CA9
SCHEMBL718598 0.87 KMT2A (0.33) ALDH1A1TEAD4TP53TSHR

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-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP ALOX15 1082/4885ALDH1A1 504/4885GAA 1254/4885

“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.