SCHEMBL20764435

SCHEMBL20764435

O=C(C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)O)cc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SRD5A2 P31213 2/20 0.43
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ CD40 P25942 1/20 0.41
▸ CD40LG P29965 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ USP21 Q9UK80 1/20 0.40
▸ PSMB5 P28074 1/20 0.40

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
SCHEMBL20764436 1.00 MEN1 (0.47) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL28372866 0.91 MEN1 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL20764531 0.87 EP300 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL20764528 0.87 EP300 (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL22076728 0.81 CD40 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL22076727 0.81 CD40 (0.39) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL5341361 0.78 NPC1 (0.60) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15962046 0.77 MEN1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15956038 0.77 MEN1 (0.55) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL15956036 0.77 MEN1 (0.55) MEN1KMT2ANPC1RAB9APOLB

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
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
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 MEN1 2023/4885KMT2A 2115/4885NPC1 3291/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 MEN1 2097/4885KMT2A 2307/4885NPC1 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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