SCHEMBL6830752

SCHEMBL6830752

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(-c3ccccc3F)c21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.40
PKM P14618 1/20 0.40
THRB P10828 1/20 0.39
MAP2K1 Q02750 1/20 0.39
CSF1R P07333 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TRPA1 O75762 1/20 0.36
KAT6A Q92794 1/20 0.36
SERPINE1 P05121 1/20 0.36

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
SCHEMBL6833840 0.90 LMNA (0.42) ALBCSF1RKMT2ALMNAHTT
SCHEMBL6834598 0.90 SERPINE1 (0.42) ALBKMT2ALMNAHTTALDH1A1
SCHEMBL6929729 0.87 KDM4E (0.40) ALBKMT2ALMNAALDH1A1TP53
SCHEMBL6833985 0.84 ALB (0.42) ALBKMT2ALMNAHTTALDH1A1
SCHEMBL6835707 0.84 ALB (0.41) ALBTHRBMAP2K1LMNASMN1; SMN2
SCHEMBL6830635 0.84 ALB (0.41) ALBPKMKMT2ALMNAHTT
SCHEMBL6833427 0.83 ALB (0.50) ALBKMT2ALMNATP53MAPT
SCHEMBL6817919 0.83 NR1H4 (0.44) ALBKMT2AGFERTP53SERPINE1
SCHEMBL6834428 0.83 ALB (0.37) ALBPKMTHRBKMT2ALMNA
SCHEMBL6819007 0.82 ALB (0.44) ALBKMT2AKAT6ASERPINE1

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 ALB 1417/4885PKM 3785/4885THRB 4330/4885

“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.