SCHEMBL6708643

SCHEMBL6708643

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 2/20 0.38
MAP3K5 Q99683 2/20 0.38
PLCG2 P16885 1/20 0.37
POLB P06746 3/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
NHERF1 O14745 2/20 0.36
PTK2 Q05397 1/20 0.35
PYGL P06737 2/20 0.35
NSD2 O96028 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
SCHEMBL6713158 0.93 MAPT (0.39) MAPTMAPK1TDP1PTK2BMAP3K5
SCHEMBL6710068 0.90 MAPT (0.41) MAPTMAPK1TDP1PTK2BMAP3K5
SCHEMBL6709889 0.89 MAPT (0.43) MAPTMAPK1TDP1ALDH1A1LMNA
SCHEMBL6710087 0.88 PLCG2 (0.39) MAPTMAPK1TDP1KDM4EALDH1A1
SCHEMBL6709837 0.88 MAPT (0.39) MAPTMAPK1TDP1PTK2BMAP3K5
SCHEMBL6712028 0.88 MAP3K5 (0.38) MAPTMAPK1TDP1ALDH1A1RAB9A
SCHEMBL6710112 0.87 MAP3K5 (0.45) MAPTMAPK1TDP1KDM4ERAB9A
SCHEMBL6710315 0.87 POLB (0.39) MAPTMAPK1TDP1ALDH1A1PTK2B
SCHEMBL6713754 0.85 SERPINE1 (0.43) KDM4EPLCG2NHERF1NSD2
SCHEMBL6707884 0.85 HDAC3 (0.40) MAPTMAPK1TDP1KDM4EALDH1A1

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.