SCHEMBL4040893

SCHEMBL4040893

O=C(O)NC(=O)c1cccnn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.65
AHR P35869 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CES1 P23141 1/20 0.43
SNCA P37840 1/20 0.39
ABL1 P00519 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CYP1A2 P05177 1/20 0.38
TBXA2R P21731 1/20 0.38
FAAH O00519 1/20 0.37
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
LMNA P02545 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GOT1 P17174 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
Hydrochloric Acid SCHEMBL28798673 0.98 P2RX7 (0.62) P2RX7AHRKMT2AMEN1CES1
SCHEMBL1412900 0.80 P2RX7 (0.69) P2RX7AHRKMT2AMEN1CES1
SCHEMBL109491 0.78 P2RX7 (1.00) P2RX7AHRKMT2AMEN1CES1
SCHEMBL1403853 0.78 P2RX7 (0.67) P2RX7AHRKMT2AMEN1CES1
SCHEMBL31025870 0.78 AHR (0.69) P2RX7AHRKMT2AMEN1PTGDR2
SCHEMBL31605465 0.77
SCHEMBL28293 0.77
SCHEMBL1219748 0.77 P2RX7 (0.64) P2RX7AHRKMT2AMEN1CES1
Hydrochloric Acid SCHEMBL11797023 0.75 P2RX7 (0.57) P2RX7AHRKMT2AMEN1CES1
SCHEMBL22288333 0.75 P2RX7 (0.57) P2RX7AHRKMT2AMEN1CES1

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 5 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-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US 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 P2RX7 3852/4885AHR 2062/4885KMT2A 723/4885

“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.