SCHEMBL5749605

SCHEMBL5749605

COC(=O)c1ccc(C(N)=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.53
CFTR P13569 1/20 0.53
HSD17B10 Q99714 1/20 0.53
BRD4 O60885 2/20 0.51
NR4A2 P43354 4/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
CREBBP Q92793 1/20 0.50
KDM4E B2RXH2 5/20 0.49
SIRT2 Q8IXJ6 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA5A P35218 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL23909597 0.92 ALDH1A1 (0.53) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL29434198 0.90 BRD4 (0.59) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL70381 0.90 BRD4 (0.59) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL27886931 0.85 ALDH1A1 (0.50) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL28639283 0.83 ATM (0.75) ATMKMT2AALDH1A1HSD17B10TSHR
SCHEMBL31758437 0.83 ALDH1A1 (0.61) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL4685498 0.83 ALDH1A1 (0.61) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL31049722 0.82 BRD4 (0.53) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL5750893 0.82 BRD4 (0.53) ATMKMT2AALDH1A1CFTRHSD17B10
SCHEMBL31049726 0.82 BRD4 (0.53) ATMKMT2AALDH1A1CFTRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP ATM 3113/4885KMT2A 404/4885ALDH1A1 783/4885

“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.