SCHEMBL2490337

SCHEMBL2490337

O=C(O)c1cccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
MAPT P10636 1/20 0.63
PIM1 P11309 1/20 0.63
GFER P55789 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
PARP1 P09874 1/20 0.56
ESR1 P03372 4/20 0.51
ESR2 Q92731 4/20 0.51
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
DHODH Q02127 4/20 0.47
POLB P06746 1/20 0.46
PBRM1 Q86U86 2/20 0.45
HNF4A P41235 1/20 0.45
MAP2 P11137 1/20 0.43
PTGS2 P35354 3/20 0.42

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
SCHEMBL28308851 0.82 KDM4E (0.47) KDM4EMAPTPIM1GFERTDP1
SCHEMBL7042649 0.78 ESR1 (0.56) KDM4EMAPTPIM1GFERTDP1
SCHEMBL6691511 0.77 KDM4E (1.00) KDM4EMAPTPIM1GFERTDP1
SCHEMBL15484969 0.77 PARP1 (0.60) KDM4EMAPTPIM1GFERTDP1
SCHEMBL4413365 0.77 KDM4E (0.52) KDM4EMAPTPIM1GFERTDP1
SCHEMBL6624663 0.77 GPR17 (0.53) KDM4EMAPTPIM1GFERTDP1
SCHEMBL28983296 0.76 ESR1 (0.58) KDM4EMAPTPIM1GFERTDP1
SCHEMBL28288597 0.76 KDM4E (0.53) KDM4EMAPTPIM1GFERTDP1
SCHEMBL2183473 0.76 PARP1 (0.73) KDM4EMAPTPIM1GFERTDP1
SCHEMBL30455376 0.76 PARP1 (0.73) KDM4EMAPTPIM1GFERTDP1

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 KDM4E 1307/4885MAPT 471/4885PIM1 2492/4885

“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.