SCHEMBL22099995

SCHEMBL22099995

Cc1cc(C#N)ccc1C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.48
TBXA2R P21731 7/20 0.44
ANO1 Q5XXA6 2/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SSTR4 P31391 1/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 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
SCHEMBL506371 0.83 MEN1 (0.52) TBXA2RPOLBAPEX1MEN1KMT2A
SCHEMBL30641945 0.82 LRRK2 (0.51) LRRK2EPHX2POLBMEN1KMT2A
SCHEMBL20787533 0.82 LRRK2 (0.51) LRRK2EPHX2POLBMEN1KMT2A
SCHEMBL26019644 0.79 LRRK2 (0.42) LRRK2SSTR4EPHX2
SCHEMBL4926140 0.78 SMN1; SMN2 (0.51) POLBAPEX1KMT2AALDH1A1
SCHEMBL507273 0.78 EPHX2 (0.55) ANO1MAOAMAOBEPHX2POLB
SCHEMBL13161980 0.77 CNR1 (0.53) LRRK2SSTR4EPHX2EGLN1
SCHEMBL13634462 0.77 CNR1 (0.44) LRRK2SSTR4EPHX2MEN1KMT2A
SCHEMBL3361866 0.76 LRRK2 (0.48) LRRK2MEN1KMT2AALDH1A1PKM
SCHEMBL289026 0.76 XDH (0.49) LRRK2

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 LRRK2 1385/4885TBXA2R 2049/4885ANO1 1500/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 LRRK2 1125/4885TBXA2R 2934/4885ANO1 1418/4885

“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.