SCHEMBL6833112

SCHEMBL6833112

COc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
MAPT P10636 8/20 0.57
ALDH1A1 P00352 7/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
BCAT1 P54687 1/20 0.53
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
GAA P10253 2/20 0.50
PRNP P04156 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.48
NHERF1 O14745 1/20 0.48
PLCG2 P16885 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL6835826 0.85 KDM4E (0.61) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6834022 0.83 NPC1 (0.55) BCAT1NPC1RAB9ANHERF1
SCHEMBL6359657 0.81 MAPT (0.70) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6709121 0.80 KDM4E (0.50) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6834052 0.79 KMT2A (0.51) KDM4EMAPTNPC1RAB9APOLB
SCHEMBL6707805 0.79 KDM4E (0.49) KDM4EMAPTALDH1A1NPSR1RXFP1
SCHEMBL6834101 0.78 NHERF1 (0.56) NHERF1
SCHEMBL6353430 0.78 MAPT (0.57) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL6834270 0.78 FLT3 (0.50) KDM4EALDH1A1NPC1RAB9APDGFRB
SCHEMBL6814022 0.78 TP53 (0.53) KDM4EMAPTALDH1A1NPSR1BCAT1

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KDM4E 1240/4885MAPT 4759/4885ALDH1A1 170/4885

“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.