SCHEMBL22100094

SCHEMBL22100094

CCCOc1c(NC(=O)c2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccc(NC(=O)CCc4ccc(C#N)cc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ HDAC3 O15379 2/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ PSMB5 P28074 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL22099914 0.93 RORC (0.38) HDAC1HDAC2HDAC3NCOR2MAPT
SCHEMBL22100106 0.92 MAPT (0.38) MAPTABCG2TP53RXFP1F11
SCHEMBL22076716 0.92 HDAC1 (0.36) HDAC1HDAC2HDAC3NCOR2F11
SCHEMBL22076714 0.92 HDAC1 (0.36) HDAC1HDAC2HDAC3NCOR2F11
SCHEMBL22099918 0.91 NAMPT (0.37) —
SCHEMBL22100101 0.88 RXFP1 (0.39) MAPTTP53RXFP1POLBMEN1
SCHEMBL22099982 0.88 NR1H4 (0.44) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL22099929 0.87 P4HTM (0.36) MAPTTP53RXFP1F11
SCHEMBL22100102 0.87 MAPT (0.34) MAPTTP53RXFP1KMT2A
SCHEMBL20764587 0.84 MMP2 (0.35) RXFP1F11MEN1KMT2A

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-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — 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 (2 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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 HDAC1 4187/4885HDAC2 4278/4885HDAC3 3912/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 HDAC1 3837/4885HDAC2 4226/4885HDAC3 3764/4885

“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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