SCHEMBL22076683

SCHEMBL22076683

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MCOLN3 Q8TDD5 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
SCHEMBL22076684 1.00 MAPT (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764701 0.94 KMT2A (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764499 0.94 MAPT (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764455 0.94 KMT2A (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764703 0.94 KMT2A (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764457 0.94 KMT2A (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764501 0.94 MAPT (0.47) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764520 0.88 EP300 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764518 0.88 EP300 (0.41) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL20764536 0.87 MEN1 (0.43) MAPTKMT2AMEN1NPC1RAB9A

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 4 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-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
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 MAPT 3731/4885KMT2A 2115/4885MEN1 2023/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MAPT 3863/4885KMT2A 2307/4885MEN1 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