Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL828226

NCCNc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
PDE10A Q9Y233 1/20 0.38
TNKS O95271 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MET P08581 2/20 0.35
KDR P35968 2/20 0.35
HTR6 P50406 2/20 0.35
SYK P43405 2/20 0.35
KIT P10721 2/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
PRKD3 O94806 2/20 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
SCHEMBL824686 0.92 PARP1 (0.44) PARP1PDE10ATNKSHTR6PRKD3
Trifluoroacetic Acid SCHEMBL828477 0.86 PDE10A (0.47) PARP1PDE10ATNKSMETKDR
SCHEMBL828083 0.83 RECQL (0.38) PARP1PDE10ATNKSCASP3SENP8
SCHEMBL824925 0.83 TNKS (0.41) PARP1PDE10ATNKSCASP3SENP8
SCHEMBL828455 0.81 PIK3CD (0.42) PARP1PDE10ATNKSKDM4EALDH1A1
SCHEMBL828302 0.79 BRD4 (0.51) PARP1TNKSKDM4E
SCHEMBL10226389 0.79 TNKS (0.43) PARP1PDE10ATNKSKDM4EGAA
SCHEMBL828198 0.79 TNKS (0.37) PARP1PDE10ATNKSCASP3SENP8
SCHEMBL824677 0.78 PDE10A (0.52) PARP1PDE10ATNKSMETKDR
Trifluoroacetic Acid SCHEMBL828018 0.78 TNKS (0.42) PARP1TNKSCASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 PARP1 4305/4885PDE10A 3212/4885TNKS 4871/4885

“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.