SCHEMBL20764432

SCHEMBL20764432

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)C(CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccncc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NAMPT P43490 2/20 0.39
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ MEF2D Q14814 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ USP30 Q70CQ3 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ BRPF1 P55201 1/20 0.35

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
SCHEMBL20764430 1.00 ALDH1A1 (0.43) ALDH1A1LMNATP53MAPK1NAMPT
SCHEMBL22076698 0.93 MMP2 (0.38) TP53KMT2APOLBMEN1NPC1
SCHEMBL20764481 0.93 MEN1 (0.44) ALDH1A1LMNATP53KMT2APOLB
SCHEMBL20764482 0.93 MEN1 (0.44) ALDH1A1LMNATP53KMT2APOLB
SCHEMBL22076696 0.93 MMP2 (0.38) TP53KMT2APOLBMEN1NPC1
SCHEMBL20764600 0.92 CACNA1B (0.37) TP53KMT2APOLBMEN1MMP2
SCHEMBL20764473 0.92 MEN1 (0.37) LMNATP53KMT2APOLBMEN1
SCHEMBL20764599 0.92 CACNA1B (0.37) TP53KMT2APOLBMEN1MMP2
SCHEMBL20764477 0.92 MEN1 (0.37) LMNATP53KMT2APOLBMEN1
SCHEMBL20764475 0.91 MITF (0.43) NPC1RAB9AMMP2USP30

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 5 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
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO 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 ALDH1A1 2016/4885LMNA 4771/4885TP53 3744/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 ALDH1A1 2382/4885LMNA 4812/4885TP53 4050/4885

“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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