SCHEMBL6710091

SCHEMBL6710091

N#Cc1ccc(NC(=O)c2cc3cccc(OCc4ccccc4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.40
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
PTGER1 P34995 1/20 0.37
MET P08581 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CYP19A1 P11511 1/20 0.36
TOP2A P11388 1/20 0.35

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
SCHEMBL6710217 0.88 TP53 (0.40) TP53POLBLMNAMAPTTOP2A
SCHEMBL6708874 0.88 POLB (0.40) PPIATP53POLBLMNAMAPT
SCHEMBL6713713 0.86 ADORA3 (0.37) TP53POLBLMNAMAPT
SCHEMBL6710247 0.85 PPIA (0.40) PPIATP53POLBLMNAMAPT
SCHEMBL6711927 0.85 PARP14 (0.44) TP53POLBLMNAMAPT
SCHEMBL6710250 0.84 KMT2A (0.42) TP53RXFP1
SCHEMBL6710369 0.84 KDM4E (0.49) MAPT
SCHEMBL6713504 0.84 FLT3 (0.43)
SCHEMBL6712045 0.84 PPIA (0.39) PPIASGMS2PTGER1METRXFP1
SCHEMBL6714403 0.84 PARP14 (0.37) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 PPIA 3856/4885TP53 2699/4885POLB 626/4885

“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.