SCHEMBL4041048

SCHEMBL4041048

COC(=O)c1cc(Cl)nc(Cl)n1.COC(=O)c1cc(OC)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.39
NQO2 P16083 5/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
P2RX3 P56373 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1760242 0.94 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2LMNATDP1
SCHEMBL4038801 0.92 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2LMNATDP1
SCHEMBL4038797 0.92 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2LMNATDP1
SCHEMBL30307699 0.90 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2LMNANQO2
SCHEMBL112719 0.90 KDM4E (0.45) ALDH1A1KDM4ESMN1; SMN2LMNANQO2
SCHEMBL2339978 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2LMNATDP1
SCHEMBL25136383 0.78 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2LMNATDP1
SCHEMBL350485 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2LMNACYP1A2
SCHEMBL30282427 0.78 LMNA (0.47) ALDH1A1KDM4ESMN1; SMN2LMNATDP1
SCHEMBL1759846 0.78 LMNA (0.66) ALDH1A1KDM4ELMNATDP1CYP1A2

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 ALDH1A1 1967/4885KDM4E 1084/4885SMN1; SMN2 1543/4885

“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.