SCHEMBL5896945

SCHEMBL5896945

CCN(NC(=O)OC(C)(C)C)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc4cc(C(=O)OC)[nH]c4c3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LEF1 Q9UJU2 1/20 0.56
PLD2 O14939 1/20 0.42
PLD1 Q13393 1/20 0.42
MMP13 P45452 2/20 0.41
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
EGFR P00533 2/20 0.40
PIK3CA P42336 2/20 0.40
RAB9A P51151 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PRNP P04156 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ABL1 P00519 1/20 0.39
NHERF1 O14745 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL5896935 0.83 LEF1 (0.58) LEF1PLD2PLD1MMP13NPC1
SCHEMBL5896915 0.83 HRH3 (0.57) LEF1MMP13NPC1KDM4EMAPT
SCHEMBL5896966 0.82 HRH3 (0.46) LEF1MMP13KDM4EMAPTRAB9A
SCHEMBL6488149 0.80 ABL1 (0.55) LEF1PLD2PLD1MMP13NPC1
SCHEMBL5896917 0.80 HRH3 (0.41) LEF1PLD2PLD1MMP13NPC1
SCHEMBL6619949 0.79 LEF1 (0.81) LEF1PLD2PLD1MMP13NPC1
SCHEMBL5897606 0.78 LEF1 (0.50) LEF1PLD2PLD1NPC1KDM4E
SCHEMBL3031344 0.77 LEF1 (0.61) LEF1MMP13NPC1RAB9AALDH1A1
SCHEMBL6617416 0.75 LEF1 (0.74) LEF1MMP13NPC1KDM4EMAPT
SCHEMBL5896829 0.74 LEF1 (0.47) LEF1PLD2PLD1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141680-B2 Aromatic compounds possessing antifungal or antibacterial activity GENELABS TECHNOLOGIES, INC. 2006-11-28 US disclosed
US-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity SMITHKLINE BEECHAM CORPORATION 2004-04-01 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-20040063645-A1 Novel aromatic compounds possessing antifungal or antibacterial activity ZC3HAV1, TYR, ZC3HAV1L LEF1 1977/4885PLD2 4718/4885PLD1 4523/4885

“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.