SCHEMBL20028848

SCHEMBL20028848

O=C1C=C(c2cnoc2)CN(OC(=O)c2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
FTO Q9C0B1 1/20 0.31
KMT2A Q03164 3/20 0.30
MAPT P10636 3/20 0.30
POLB P06746 2/20 0.30
CASP3 P42574 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
LMNA P02545 2/20 0.30
F2 P00734 1/20 0.30
ALDH1A1 P00352 2/20 0.30
BRD4 O60885 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL20028849 0.80 BRD4 (0.33) NPSR1FTOKMT2ABRD4
SCHEMBL20028325 0.74 SMO (0.36) KMT2ALMNAF2BRD4
SCHEMBL20028553 0.74 BRD4 (0.38) KMT2AMAPTALDH1A1BRD4MEN1
SCHEMBL25771035 0.68 LMNA (0.47) KMT2AMAPTPOLBLMNAF2
SCHEMBL26429014 0.64 LMNA (0.42) NPSR1KMT2AMAPTLMNAF2
SCHEMBL226315 0.63 KMT2A (0.55) KMT2AMAPTPOLBCASP3SENP7
Ammonia Solution, Strong SCHEMBL11880905 0.62 KMT2A (0.54) KMT2AMAPTPOLBCASP3SENP7
SCHEMBL27896045 0.62 KMT2A (0.49) KMT2AMAPTPOLBCASP3SENP7
SCHEMBL25699197 0.61 F2 (0.42) NPSR1KMT2AMAPTLMNAF2
SCHEMBL1024586 0.61 ALDH1A1 (0.56) KMT2AMAPTLMNAALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292125-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2019-09-04 EP disclosed
US-10183943-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2019-01-22 US disclosed
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2018-04-05 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-10183943-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections NQO1, PEPD, LCT NPSR1 4152/4885FTO 4482/4885KMT2A 2940/4885
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT NPSR1 4152/4885FTO 4482/4885KMT2A 2940/4885

“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.