SCHEMBL22076701

SCHEMBL22076701

C=CCOc1c(C(=O)O)ccc(NC(=O)c2ccc(NC(=O)C(CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)NC(=O)c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)cc2)c1OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ USP30 Q70CQ3 2/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL22076699 1.00 POLB (0.34) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL28372338 0.93 USP30 (0.33) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22076741 0.88 CD40 (0.40) POLBMAPTNPC1RAB9ARXFP1
SCHEMBL22076742 0.88 CD40 (0.40) POLBMAPTNPC1RAB9ARXFP1
SCHEMBL20764441 0.86 POLB (0.37) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20764438 0.86 POLB (0.37) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22076727 0.85 CD40 (0.39) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22076728 0.85 CD40 (0.39) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20764453 0.82 CASP1 (0.34) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20764454 0.82 CASP1 (0.34) POLBMAPTNPC1RAB9ASMN1; SMN2

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 POLB 2408/4885MAPT 3731/4885NPC1 3291/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 POLB 2839/4885MAPT 3863/4885NPC1 3258/4885

“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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