Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4774899

CCn1nc(C)cc1C(=O)Nc1ccc2c(c1)CCN(C1CCC1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
BLM P54132 1/20 0.42
HRH3 Q9Y5N1 8/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AXL P30530 1/20 0.40
MLNR O43193 1/20 0.39
HRH1 P35367 1/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
PDE7A Q13946 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4768724 0.94 BLM (0.46) BLMHRH3NPC1RAB9AGAA
Trifluoroacetic Acid SCHEMBL4767895 0.86 AURKA (0.50) SLC2A1BLMHRH3NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4765216 0.86 SLC2A1 (0.40) SLC2A1BLMHRH3NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4775487 0.85 KMT2A (0.53) SLC2A1SMYD3MEN1KMT2A
SCHEMBL4767967 0.81 HRH3 (0.48) HRH3NPC1RAB9AHRH1FLT1
Trifluoroacetic Acid SCHEMBL4772057 0.81 POLB (0.47) SLC2A1HRH3NPC1RAB9AGAA
Trifluoroacetic Acid SCHEMBL4775304 0.80 SLC2A1 (0.43) SLC2A1HRH3HRH1
SCHEMBL4768299 0.79 KMT2A (0.59) HRH3SMYD3MEN1KMT2A
SCHEMBL4776972 0.79 AURKA (0.54) BLMHRH3NPC1RAB9AGAA
Trifluoroacetic Acid SCHEMBL4766836 0.79 SLC2A1 (0.44) SLC2A1HRH3NPC1RAB9AAXL

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 SLC2A1 4665/4885BLM 4548/4885HRH3 1/4885

“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.