SCHEMBL20764457

SCHEMBL20764457

CC(C)Oc1c(NC(=O)c2ccc(NC(=O)C(CC(N)=O)NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)ccc(C(=O)Nc2ccc(C(=O)O)cc2)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.47
▸ MAPT P10636 7/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ MMP9 P14780 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL20764455 1.00 KMT2A (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL20764701 1.00 KMT2A (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL20764703 1.00 KMT2A (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL20764499 0.97 MAPT (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL20764501 0.97 MAPT (0.47) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL22076683 0.94 MAPT (0.48) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL22076684 0.94 MAPT (0.48) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL20764520 0.93 EP300 (0.41) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL20764518 0.93 EP300 (0.41) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL22099924 0.92 MAPT (0.51) KMT2AMAPTMEN1NPC1RAB9A

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 KMT2A 2115/4885MAPT 3731/4885MEN1 2023/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 KMT2A 2307/4885MAPT 3863/4885MEN1 2097/4885

“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.

Send feedback