SCHEMBL6833246

SCHEMBL6833246

COc1ccccc1-c1cnc(C(=O)Nc2ccc(C#N)cc2C(=O)O)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FAAH O00519 1/20 0.45
ALB P02768 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
VCP P55072 1/20 0.41
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
KDM4E B2RXH2 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTC4S Q16873 1/20 0.40
TRPM4 Q8TD43 1/20 0.39

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
SCHEMBL6830632 0.86 HDAC1 (0.51) HDAC1HDAC6FAAHALDH1A1HSD17B10
SCHEMBL6834034 0.84 TUBB4A (0.55) HDAC1HDAC6FAAHALBWNT3A
SCHEMBL6920683 0.83 DHODH (0.41) ALBALDH1A1HPGDKMT2AMEN1
SCHEMBL6817690 0.83 HSD17B10 (0.62) ALDH1A1HSD17B10HPGDKMT2AMEN1
SCHEMBL6833459 0.83 RXFP1 (0.48) HDAC1HDAC6FAAHALBALDH1A1
SCHEMBL6835728 0.83 HDAC1 (0.49) HDAC1HDAC6FAAHALBALDH1A1
SCHEMBL6834193 0.81 TUBB4A (0.47) FAAHALBCA12CA1RXFP1
SCHEMBL6833423 0.81 FAAH (0.52) FAAHALBTDP1
SCHEMBL6818185 0.80 HTT (0.45) FAAHALBALDH1A1HSD17B10KMT2A
SCHEMBL6830630 0.80 TUBB4A (0.44) HDAC1HDAC6FAAHALBALDH1A1

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-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 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.