SCHEMBL20557939

SCHEMBL20557939

[N-]=[N+]=NCc1nc(NC(=O)O)cs1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 15/20 0.37
▸ CDK5R1 Q15078 15/20 0.37
▸ CCNA2 P20248 10/20 0.35
▸ CDK2 P24941 10/20 0.35
▸ CCNA1 P78396 10/20 0.35
▸ TDP1 Q9NUW8 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL22031130 0.80 CDK5 (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL20558119 0.78 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL20557462 0.76 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL16095853 0.73 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL16644962 0.73 HDAC1 (0.42) —
SCHEMBL14648410 0.73 SMN1; SMN2 (0.36) ALDH1A1
SCHEMBL14037363 0.70 RAB9A (0.56) TDP1ALDH1A1MEN1KMT2A
SCHEMBL15417769 0.70 SLC6A3 (0.33) ALDH1A1
SCHEMBL28281042 0.70 SLC6A3 (0.41) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL28361587 0.70 ALDH1A1 (0.31) ALDH1A1

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
EP-3630111-B1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC (US) 2021-11-24 — — EP disclosed
US-11046694-B2 Compounds and methods for treating bacterial infections ENTASIS THERAPEUTICS, INC. (US) 2021-06-29 — — US disclosed
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS, INC. 2020-05-28 — — US disclosed
EP-3630111-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS Entasis Therapeutics, Inc. (US) 2020-04-08 — — EP disclosed
WO-2018208769-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS, INC. (US) 2018-11-15 — — 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-11046694-B2 Compounds and methods for treating bacterial infections MRPL21, CFTR, C5 CDK5 4226/4885CDK5R1 2362/4885CCNA2 3700/4885
US-20200165251-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS MRPL21, CFTR, C5 CDK5 4226/4885CDK5R1 2362/4885CCNA2 3700/4885

“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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