SCHEMBL6835629

SCHEMBL6835629

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccc(-c3ccccc3C(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.39
DHODH Q02127 3/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
TRPA1 O75762 2/20 0.38
AR P10275 1/20 0.37
MTTP P55157 2/20 0.36
NTRK1 P04629 2/20 0.36
WDR5 P61964 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ROCK1 Q13464 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
IGF2BP2 Q9Y6M1 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
SCHEMBL6835707 0.89 ALB (0.41) ALBTRPA1LMNATP53MAPT
SCHEMBL6833879 0.88 LMNA (0.43) ALBTRPA1LMNATP53MAPT
SCHEMBL6710172 0.83 ROCK2 (0.35) DHODHXDHSLC22A12TRPA1AR
SCHEMBL6818878 0.81 ALB (0.56) ALBTRPA1LMNATP53MAPT
SCHEMBL6713525 0.81 ROCK1 (0.36) TRPA1NTRK1WDR5ROCK1
SCHEMBL6834339 0.79 MAPT (0.39) ALBSLC22A12TRPA1LMNATP53
SCHEMBL6835702 0.77 MAPT (0.47) ALBLMNATP53MAPT
SCHEMBL6818253 0.77 ROCK2 (0.42) ALBTRPA1LMNATP53MAPT
SCHEMBL6834598 0.77 SERPINE1 (0.42) ALBTRPA1LMNATP53MAPT
SCHEMBL6834194 0.77 SRD5A2 (0.52) ALB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
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 1417/4885DHODH 166/4885XDH 127/4885

“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.