SCHEMBL6707635

SCHEMBL6707635

N#Cc1ccc(NC(=O)c2cc3cccc(NC(=O)c4ccccc4CCc4ccccc4)c3[nH]2)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 3/20 0.38
CCKBR P32239 3/20 0.38
ALDH1A1 P00352 1/20 0.36
ADRB2 P07550 1/20 0.36
HTT P42858 1/20 0.36
NR1H4 Q96RI1 1/20 0.34
PARP14 Q460N5 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL6714403 0.89 PARP14 (0.37) CCKARCCKBRALDH1A1PARP14
SCHEMBL6714337 0.89 CCKAR (0.40) CCKARCCKBRALDH1A1ADRB2HTT
SCHEMBL6707792 0.89 NHERF1 (0.40) CCKARCCKBRALDH1A1ADRB2HTT
SCHEMBL6713469 0.87 HDAC1 (0.37) PARP14
SCHEMBL6711927 0.87 PARP14 (0.44) PARP14
SCHEMBL6712030 0.87 CHRNB2 (0.41) ALDH1A1HTTNR1H4RXFP1
SCHEMBL6708889 0.87 NR1H4 (0.38) CCKARHTTNR1H4RXFP1
SCHEMBL6710048 0.87 HDAC3 (0.38) NR1H4PARP14
SCHEMBL6710250 0.87 KMT2A (0.42) NR1H4PARP14RXFP1
SCHEMBL6707634 0.86 CCKAR (0.38) CCKARCCKBRALDH1A1ADRB2HTT

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 CCKAR 3935/4885CCKBR 3495/4885ALDH1A1 123/4885

“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.