SCHEMBL2490336

SCHEMBL2490336

O=C(O)n1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.53
POLB P06746 2/20 0.46
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
P2RX4 Q99571 1/20 0.43
ABCB1 P08183 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL22443315 0.86 AGTR1 (0.50) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL28509508 0.80 POLB (0.46) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL29395135 0.80 POLB (0.46) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL28196795 0.78 CHRM2 (0.47) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL1180653 0.78 POLB (0.64) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL30344008 0.78 POLB (0.64) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL28196803 0.77 NTRK1 (0.44) AGTR1KMT2AALDH1A1P2RX4SMN1; SMN2
SCHEMBL29099041 0.77 ALDH1A1 (0.45) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL29099037 0.76 AGTR1 (0.42) AGTR1POLBKMT2AALDH1A1KDM4E
SCHEMBL28503987 0.76 ALDH1A1 (0.43) AGTR1POLBKMT2AALDH1A1KDM4E

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
US-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS ROEMER TERRY (US) 2013-08-08 US disclosed
EP-2544528-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
WO-2011112435-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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 (1 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-20130203726-A1 FtsZ INHIBITORS AS POTENTIATORS OF BETA-LACTAM ANTIBIOTICS AGAINST METHICILLIN-RESISTANT STAPHYLOCOCCUS RCE1, POLE3, MCRS1 AGTR1 4255/4885POLB 32/4885KMT2A 3097/4885

“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.