SCHEMBL6833941

SCHEMBL6833941

CC(=O)Nc1cccc(-c2cccc3cc(C(=O)Nc4ccc(C#N)cc4C(=O)O)n(C)c23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.40
HTT P42858 1/20 0.39
MAPK14 Q16539 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
SERPINE1 P05121 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALB P02768 2/20 0.37
FYN P06241 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6834598 0.90 SERPINE1 (0.42) PTPN11HTTSERPINE1TSHRTP53
SCHEMBL7124817 0.85 PTPN11 (0.38) PTPN11HTTMAPK14ABCG2TSHR
SCHEMBL6817919 0.83 NR1H4 (0.44) SERPINE1TP53NPSR1ALBNR1H4
SCHEMBL6833840 0.83 LMNA (0.42) HTTMAPK14SERPINE1TP53ALB
SCHEMBL6819007 0.83 ALB (0.44) SERPINE1ALBKMT2A
SCHEMBL6830752 0.82 ALB (0.40) HTTSERPINE1SMN1; SMN2TP53ALDH1A1
SCHEMBL6833985 0.81 ALB (0.42) PTPN11HTTTP53ALDH1A1ALB
SCHEMBL6929729 0.81 KDM4E (0.40) RAB9ATP53ALDH1A1HSD17B10ALB
SCHEMBL6830635 0.81 ALB (0.41) HTTTSHRTP53ALBMAPT
SCHEMBL6834428 0.80 ALB (0.37) HTTMAPK14TP53ALBMAPT

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 PTPN11 2924/4885HTT 1599/4885MAPK14 2632/4885

“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.