SCHEMBL6707937

SCHEMBL6707937

CC(=O)OCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)[nH]c12.O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)C3CCCC3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PYGL P06737 2/20 0.32
GRM4 Q14833 1/20 0.32
PLCG2 P16885 1/20 0.32
PTK2B Q14289 1/20 0.32
KCNJ6 P48051 1/20 0.32
KCNJ3 P48549 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGES O14684 1/20 0.32

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
SCHEMBL6710117 0.90 GRM5 (0.39) ALDH1A1KMT2AGRM5PYGLGRM4
SCHEMBL6713856 0.89 PLCG2 (0.38) ALDH1A1KMT2AGRM5PYGLGRM4
SCHEMBL6708060 0.88 KMT2A (0.39) ALDH1A1KMT2APYGLPLCG2PTK2B
SCHEMBL6707938 0.87 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AGRM5
SCHEMBL6919649 0.86 HDAC1 (0.37) KMT2AGRM5PYGLGRM4PLCG2
SCHEMBL6714268 0.85 LMNA (0.39) HPGDALDH1A1MEN1KMT2APYGL
SCHEMBL6711579 0.84 CHRM1 (0.41) SMN1; SMN2PYGLPLCG2PTK2B
SCHEMBL6712466 0.83 GPR35 (0.39) USP2HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL6713534 0.83 ALDH1A1 (0.40) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6713400 0.83 TP53 (0.35) HPGDMEN1KMT2APYGLPLCG2

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 USP2 842/4885HPGD 1253/4885SMN1; SMN2 2635/4885

“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.