SCHEMBL6358978

SCHEMBL6358978

CN(C)c1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.55
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
F10 P00742 2/20 0.49
KCNK3 O14649 1/20 0.47
SERPINE1 P05121 3/20 0.46
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
LTC4S Q16873 1/20 0.44
GFER P55789 1/20 0.44
PKM P14618 1/20 0.43
GRIK1 P39086 1/20 0.43
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL6359401 0.88 ALB (0.63) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6351845 0.87 KMT2A (0.53) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6359300 0.87 ALB (0.53) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6346687 0.85 ALB (0.60) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6353963 0.84 KMT2A (0.62) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6348543 0.83 ALB (0.58) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6359657 0.82 MAPT (0.70) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6360650 0.82 KMT2A (0.57) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6349987 0.82 ALB (0.57) ALBKMT2AMEN1MAPTTDP1
SCHEMBL6348677 0.82 SERPINE1 (0.66) ALBKMT2AMEN1MAPTTDP1

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 ALB 1682/4885KMT2A 3645/4885MEN1 3274/4885

“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.