SCHEMBL4765727

SCHEMBL4765727

O=C(Nn1cccc(C(=O)O)c1=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MPO P05164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL4773510 0.75 KDM4E (0.39) LMNATSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL6304556 0.72 BRD4 (0.42) TSHRALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL25233228 0.71 RIPK3 (0.45) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL4768331 0.69 KDM4E (0.46) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL18906045 0.68 POLB (0.70) HTTALDH1A1SMN1; SMN2POLBKDM4D
SCHEMBL3655944 0.68 KMT2A (0.45) GAAALDH1A1KDM4EKMT2AMAPT
SCHEMBL6298514 0.68 USP2 (0.55) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL6612630 0.66 HTT (0.56) LMNAGAAHTTALDH1A1KDM4E
SCHEMBL4677470 0.66 ALDH1A1 (0.50) LMNATSHRGAAALDH1A1KDM4E
SCHEMBL205170 0.65 PTPN11 (0.62) GAAHTTALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 US 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 LMNA 2120/4885TSHR 3115/4885GAA 233/4885

“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.