Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL855202

CN1CCN(CCOc2c(-c3ccccc3)[nH]c(=O)c3cc(F)ccc23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.52
PARP3 Q9Y6F1 11/20 0.51
PARP2 Q9UGN5 7/20 0.51
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL853574 0.94 PARP1 (0.58) PARP1PARP3PARP2TNKS
SCHEMBL853866 0.82 POLB (0.47) PARP1PARP3PARP2TNKSTNKS2
Hydrochloric Acid SCHEMBL9930163 0.81 POLB (0.47) PARP1PARP2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL854659 0.81 PARP1 (0.57) PARP1PARP3PARP2
Trifluoroacetic Acid SCHEMBL854159 0.81 PARP1 (0.55) PARP1PARP3PARP2
SCHEMBL854604 0.80 PARP1 (0.61) PARP1PARP3PARP2
SCHEMBL854699 0.78 PARP1 (0.69) PARP1PARP3PARP2TNKSTNKS2
Trifluoroacetic Acid SCHEMBL854640 0.78 ALDH1A1 (0.47) PARP1
SCHEMBL854971 0.77 RAB9A (0.52) PARP1PARP2TNKSTNKS2
Hydrochloric Acid SCHEMBL9930596 0.77 RAB9A (0.54) PARP1PARP2TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US disclosed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 US disclosed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP disclosed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 WO 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 (2 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-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP3 5/4885PARP2 2/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP3 5/4885PARP2 2/4885

“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.