Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4765208

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnn2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 1/20 0.47
LCK P06239 4/20 0.46
CSK P41240 4/20 0.46
ZAP70 P43403 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
EPHB3 P54753 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KLF5 Q13887 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC2A1 P11166 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL4767352 0.94 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1RAB9ATP53
Trifluoroacetic Acid SCHEMBL4765765 0.81 TP53 (0.50) NPC1RAB9ATP53SMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL4765546 0.81 MEN1 (0.53) NPC1RAB9ATP53SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL4771045 0.80 RAB9A (0.53) NPC1RAB9ASMN1; SMN2HPGDMEN1
Trifluoroacetic Acid SCHEMBL4774158 0.80 TMPRSS2 (0.55) ALDH1A1KDM4ENPC1RAB9ATP53
SCHEMBL4767953 0.80 NPC1 (0.56) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4765960 0.79 NR1H4 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4770456 0.79 NPC1 (0.52) ALDH1A1NPC1RAB9ATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL4770084 0.79 NR1H4 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4770760 0.78 HRH3 (0.50) NPC1RAB9ATP53SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 ALDH1A1 1725/4885KDM4E 488/4885NPC1 2009/4885

“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.