SCHEMBL21385766

SCHEMBL21385766

C/C=C(C(=O)O)\C(=C/C=C\CC(=O)NCCCCCC(=O)N[C@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCNC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTRA2 O43464 8/20 0.39
▸ HTRA1 Q92743 8/20 0.39
▸ ALB P02768 2/20 0.34
▸ WDR5 P61964 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ LCK P06239 1/20 0.30
▸ SHC1 P29353 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NPBWR1 P48145 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
SCHEMBL14932607 0.81 HTRA2 (0.54) HTRA2HTRA1ALBWDR5FOLH1
SCHEMBL20235710 0.79 HTRA2 (0.49) HTRA2HTRA1ALBWDR5FOLH1
SCHEMBL18220762 0.77 CA12 (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL11983772 0.76 CA12 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL10315740 0.76 CA12 (0.50) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL14932614 0.75 HTRA2 (0.52) HTRA2HTRA1ALBWDR5FOLH1
SCHEMBL18220760 0.75 CA1 (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL20047392 0.74 FOLH1 (0.51) HTRA2HTRA1ALBWDR5FOLH1
SCHEMBL13833492 0.70 HTRA2 (0.38) HTRA2HTRA1ALBWDR5FOLH1
SCHEMBL11906012 0.70 CA9 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A

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-10421778-B2 Isoform-selective lysine deacetylase inhibitors WASHINGTON UNIVERSITY (US) 2019-09-24 — — 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-10421778-B2 Isoform-selective lysine deacetylase inhibitors DOT1L, KDM1A, HDAC1 HTRA2 2107/4885HTRA1 2491/4885ALB 4863/4885

“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.

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