SCHEMBL6834412

SCHEMBL6834412

COc1ccccc1CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
GAA P10253 4/20 0.54
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.41
PTGER4 P35408 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL6830741 0.90 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10GAAHDAC3
SCHEMBL6834299 0.89 MEN1 (0.56) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL6833726 0.89 PARP14 (0.45) KDM4EALDH1A1HSD17B10GAATP53
SCHEMBL6833087 0.88 MEN1 (0.44) KDM4EALDH1A1HSD17B10GAALMNA
SCHEMBL6834504 0.87 LMNA (0.47) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6834350 0.87 ALDH1A1 (0.50) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7127481 0.86 KDM4E (0.47) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL6835807 0.86 ALB (0.41) TP53MAPTHDAC3HDAC1LMNA
SCHEMBL6830655 0.86 ALB (0.43) KDM4EALDH1A1HSD17B10GAATP53
SCHEMBL6833069 0.86 POLB (0.48) KDM4EALDH1A1HSD17B10GAATP53

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 1240/4885ALDH1A1 170/4885HSD17B10 2592/4885

“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.