Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL854640

O=C(O)C(F)(F)F.O=c1[nH]c(-c2ccccc2)c(OCCCN2CCCCC2)c2ccccc12

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 9/20 0.45
KCNH2 Q12809 4/20 0.45
HRH1 P35367 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1B Q00975 2/20 0.44
HRH4 Q9H3N8 2/20 0.44
PARP1 P09874 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL853477 0.92 HRH3 (0.52) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL855098 0.91 HRH3 (0.51) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL854313 0.86 HTR2A (0.49) KDM4EHRH3KCNH2HRH1SMN1; SMN2
SCHEMBL854216 0.85 CYP2D6 (0.46) HRH3KCNH2HRH1PARP1ADRA1A
SCHEMBL853151 0.85 LTA4H (0.50) KDM4EHRH3SMN1; SMN2PARP1POLB
SCHEMBL853849 0.83 PARP1 (0.56) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL854604 0.83 PARP1 (0.61) HRH3HRH1PARP1
SCHEMBL853134 0.83 KIF11 (0.44) ALDH1A1KDM4EKMT2AMEN1PKM
SCHEMBL854971 0.82 RAB9A (0.52) ALDH1A1KDM4EKMT2AMEN1HRH3
SCHEMBL854569 0.82 PARP1 (0.45) ALDH1A1KDM4EKMT2AMEN1HRH3

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 ALDH1A1 299/4885KDM4E 3176/4885KMT2A 1627/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 ALDH1A1 299/4885KDM4E 3176/4885KMT2A 1627/4885

“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.