SCHEMBL6708566

SCHEMBL6708566

CCC(CC)C(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
MAP3K5 Q99683 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTK2B Q14289 2/20 0.33
PTK2 Q05397 1/20 0.33
HDAC1 Q13547 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NSD2 O96028 1/20 0.32
PKM P14618 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL6710211 0.94 L3MBTL1 (0.43) MAPTMAPK1TDP1POLBTP53
SCHEMBL6709837 0.93 MAPT (0.39) MAPTMAPK1TDP1POLBTP53
SCHEMBL6708669 0.90 KCNQ2 (0.40) MAPTMAPK1TDP1POLBTP53
SCHEMBL6710380 0.88 MAP3K5 (0.43) MAPTMAPK1TDP1POLBTP53
SCHEMBL6711789 0.88 PARP14 (0.36) MAPTMAPK1TDP1POLBTP53
SCHEMBL6708751 0.88 MAPT (0.39) MAPTMAPK1TDP1POLBTP53
SCHEMBL6713158 0.88 MAPT (0.39) MAPTMAPK1TDP1POLBTP53
SCHEMBL6708969 0.87 MAP3K5 (0.37) MAPTMAPK1TDP1POLBTP53
SCHEMBL6710250 0.87 KMT2A (0.42) TP53HDAC1NSD2RXFP1
SCHEMBL6709996 0.87 GSK3B (0.42) MAPTMAPK1TDP1POLBTP53

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 MAPT 4754/4885MAPK1 2728/4885TDP1 2977/4885

“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.