SCHEMBL6835728

SCHEMBL6835728

COc1cccc(-c2cnc(C(=O)Nc3ccc(C#N)cc3C(=O)O)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
FAAH O00519 2/20 0.47
DHODH Q02127 3/20 0.44
PLAU P00749 1/20 0.44
VCP P55072 1/20 0.43
ALB P02768 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42

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
SCHEMBL6833459 0.90 RXFP1 (0.48) HDAC1HDAC6FAAHALBMAPT
SCHEMBL6833423 0.90 FAAH (0.52) FAAHALBTUBB4ATUBBTUBA3C
SCHEMBL6834034 0.88 TUBB4A (0.55) HDAC1HDAC6FAAHALBTUBB4A
SCHEMBL6834625 0.86 HDAC1 (0.53) HDAC1HDAC6FAAHDHODHVCP
SCHEMBL6834193 0.84 TUBB4A (0.47) FAAHALBRXFP1TUBB4ATUBB
SCHEMBL6818931 0.83 KMT2A (0.60) TP53MAPTRXFP1HPGDALDH1A1
SCHEMBL6833246 0.83 HDAC1 (0.47) HDAC1HDAC6FAAHVCPALB
SCHEMBL6830680 0.82 FAAH (0.49) HDAC1HDAC6FAAHALBMAPT
SCHEMBL6830630 0.81 TUBB4A (0.44) HDAC1HDAC6FAAHALBMAPT
SCHEMBL6818185 0.81 HTT (0.45) FAAHALBMAPTTUBB4ATUBB

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 disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 HDAC1 1902/4885HDAC6 963/4885FAAH 737/4885

“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.