SCHEMBL6765701

SCHEMBL6765701

CC(C)c1ccc(CC(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nnn[nH]4)[nH]c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 5/20 0.38
IDO1 P14902 1/20 0.38
PARP14 Q460N5 3/20 0.37
NLRP3 Q96P20 1/20 0.35
MAP3K5 Q99683 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORC P51449 2/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL6709947 0.92 PARP14 (0.39) PARP14MAP3K5MAPTMAPK1RORC
SCHEMBL6712091 0.92 PARP14 (0.39) PARP14MAP3K5MAPTRORC
SCHEMBL6711927 0.91 PARP14 (0.44) PARP14MAPTTP53RORC
SCHEMBL6713374 0.91 NR1H4 (0.40) CACNA1HPARP14NLRP3RORC
SCHEMBL6713375 0.90 PARP14 (0.39) PARP14MAPTTP53
SCHEMBL6708920 0.90 PARP14 (0.42) PARP14NLRP3MAPTTP53
SCHEMBL6707721 0.90 PARP14 (0.41) PARP14TP53
SCHEMBL6713731 0.90 PARP14 (0.41) IDO1PARP14RORC
SCHEMBL6710593 0.90 PARP14 (0.38) PARP14NLRP3MAP3K5MAPTTP53
SCHEMBL6713494 0.89 POLB (0.39) PARP14NLRP3MAPTTP53MAPK1

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 CACNA1H 2083/4885IDO1 3631/4885PARP14 2597/4885

“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.