SCHEMBL4035571

SCHEMBL4035571

CCOC(=O)c1cncc(N)c1.Nc1cncc(C(=O)O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
ALDH1A1 P00352 7/20 0.67
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 2/20 0.67
DDO Q99489 1/20 0.67
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
HCAR2 Q8TDS4 4/20 0.49
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL3664506 0.94 CYP2C19 (0.68) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
SCHEMBL2112657 0.89 CYP2C19 (1.00) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL3336664 0.87 CYP2C19 (0.97) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
SCHEMBL30214356 0.83 CYP2C19 (0.82) CYP2C9CYP2C19CYP1A2CYP3A4HCAR2
SCHEMBL277284 0.82 CYP2C19 (0.86) CYP2C9CYP2C19ALDH1A1KMT2ALMNA
SCHEMBL185913 0.82 ALDH1A1 (1.00) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
SCHEMBL29954828 0.82 ALDH1A1 (1.00) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9679507 0.80 CYP2C19 (0.83) CYP2C9CYP2C19ALDH1A1KMT2ALMNA
Hydrochloric Acid SCHEMBL28085711 0.80 LMNA (0.50) CYP2C9CYP2C19ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9448329 0.80 ALDH1A1 (0.96) CYP2C9CYP2C19ALDH1A1KDM4EMEN1

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 CYP2C9 492/4885CYP2C19 505/4885ALDH1A1 1967/4885

“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.