SCHEMBL4043972

SCHEMBL4043972

O=C(O)c1cnc(Cl)c(I)c1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.47
HCAR2 Q8TDS4 4/20 0.46
NAPRT Q6XQN6 1/20 0.46
LDHA P00338 1/20 0.42
MGAM O43451 1/20 0.41
P4HA1 P13674 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
MIF P14174 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 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
SCHEMBL14761705 0.98 TPMT (0.48) TPMTHCAR2NAPRTLDHAMGAM
SCHEMBL3946459 0.82 NAPRT (0.38) TPMTHCAR2NAPRTLDHAALDH1A1
SCHEMBL10054919 0.81 ALDH1A1 (0.37) TPMTNAPRTALDH1A1POLBMEN1
SCHEMBL4036645 0.80 KDM4E (0.41) TPMTHCAR2ALDH1A1KDM4EPOLB
SCHEMBL14784495 0.79 L3MBTL1 (0.47) ALDH1A1POLB
SCHEMBL29365646 0.78 HCAR2 (0.50) TPMTHCAR2NAPRTMGAMP4HA1
SCHEMBL232290 0.78 HCAR2 (0.50) TPMTHCAR2NAPRTMGAMP4HA1
SCHEMBL2126716 0.77 MAPK1 (0.46) ALDH1A1KDM4EPOLBLMNAKMT2A
SCHEMBL30673218 0.77 MAPK1 (0.46) ALDH1A1KDM4EPOLBLMNAKMT2A
Hydrochloric Acid SCHEMBL7476482 0.76 HCAR2 (0.48) TPMTHCAR2NAPRTMGAMP4HA1

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 TPMT 761/4885HCAR2 405/4885NAPRT 2497/4885

“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.