SCHEMBL6834057

SCHEMBL6834057

CC(=O)c1cccc(NC([NH])=O)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 5/20 0.62
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 3/20 0.58
CREBBP Q92793 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
ALOX12 P18054 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL5974770 0.85 KMT2A (0.73) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL7877536 0.85 KMT2A (0.66) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL5340030 0.84 MEN1 (0.89) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL474709 0.84 KMT2A (0.70) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL6983111 0.84 KMT2A (0.56) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL4102809 0.82 KMT2A (0.73) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL6930688 0.81 KMT2A (0.62) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL279656 0.81 ALDH1A1 (0.59) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL13210704 0.81 KMT2A (0.81) KMT2AMEN1TDP1ALDH1A1NPC1
SCHEMBL5456725 0.81 ALDH1A1 (0.83) KMT2AMEN1ALDH1A1NPC1RAB9A

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 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KMT2A 2853/4885MEN1 4132/4885TDP1 2738/4885

“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.