SCHEMBL6713596

SCHEMBL6713596

CN(C)S(=O)(=O)c1ccc2onc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 8/20 0.37
LMNA P02545 5/20 0.37
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 2/20 0.34
HIF1A Q16665 3/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.33
CSF1R P07333 1/20 0.33
AKR1B1 P15121 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 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
SCHEMBL6708775 0.91 RXFP1 (0.48) RXFP1ALDH1A1LMNAPKMGAA
SCHEMBL6710157 0.90 ALDH1A1 (0.40) ALDH1A1LMNAGAAMAPTKDM4E
SCHEMBL6710307 0.88 CSF1R (0.37) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL6710349 0.88 HIF1A (0.38) RXFP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6713150 0.86 HIF1A (0.43) RXFP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6709013 0.86 RXFP1 (0.38) RXFP1ALDH1A1LMNAPKMGAA
SCHEMBL6707747 0.85 HIF1A (0.35) RXFP1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL6713461 0.85 GPR27 (0.39) RXFP1MAPTHIF1AMEN1KMT2A
SCHEMBL6709880 0.84 TNIK (0.35) RXFP1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL6711700 0.83 ALB (0.46) RXFP1ALDH1A1LMNAGAAMAPT

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 RXFP1 3836/4885ALDH1A1 123/4885LMNA 4062/4885

“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.