SCHEMBL4036645

SCHEMBL4036645

COC(=O)c1cnc(Cl)c(I)c1.O=C(O)c1cnc(O)c(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
MAPK1 P28482 3/20 0.41
TPMT P51580 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM6B O15054 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
ATM Q13315 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PSMD14 O00487 1/20 0.35
P2RY12 Q9H244 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL2126716 0.87 MAPK1 (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL30673218 0.87 MAPK1 (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL949235 0.86 MAPK1 (0.47) KDM4EMAPK1TPMTL3MBTL1KDM6B
SCHEMBL14761705 0.81 TPMT (0.48) KDM4ETPMTPOLBALDH1A1PSMD14
SCHEMBL4043972 0.80 TPMT (0.47) KDM4ETPMTPOLBALDH1A1PSMD14
SCHEMBL2126833 0.80 TPMT (0.50) KDM4ETPMTPOLBALDH1A1PSMD14
SCHEMBL28848352 0.74 KDM4E (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL198706 0.74 MAPK1 (0.47) KDM4EMAPK1TPMTL3MBTL1KDM6B
SCHEMBL981603 0.74 KDM4E (0.53) KDM4EMAPK1TPMTL3MBTL1KDM6B
SCHEMBL4038589 0.73 PDGFRB (0.41) KDM4EMAPK1L3MBTL1ATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 KDM4E 1084/4885MAPK1 4235/4885TPMT 761/4885

“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.