Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6468683

COc1cc2nc(Nc3nc(O)c4cc(N(C)C)cc(C)c4n3)nc(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 5/20 0.38
EHMT2 Q96KQ7 1/20 0.38
KDM1A O60341 1/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 1/20 0.34
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC2A1 P11166 1/20 0.33
CSF1R P07333 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6466134 0.92 KDM1A (0.41) KDM1AMAPTTP53POLBRAD52
Trifluoroacetic Acid SCHEMBL6469546 0.89 MAPT (0.41) WHR1EHMT2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6469598 0.87 MAPT (0.41) WHR1EHMT2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6466107 0.86 ABCG2 (0.41) WHR1EHMT2MAPTTP53POLB
SCHEMBL6468688 0.85 KDM1A (0.36) WHR1EHMT2KDM1AMAPTTP53
Trifluoroacetic Acid SCHEMBL6467849 0.83 MAPT (0.39) WHR1EHMT2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6469497 0.81 WHR1 (0.40) WHR1EHMT2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6467189 0.80 ABCG2 (0.41) WHR1EHMT2MAPTTP53POLB
Trifluoroacetic Acid SCHEMBL6469860 0.79 KMT2A (0.38) WHR1KDM1AMAPTPOLBKMT2A
Trifluoroacetic Acid SCHEMBL6467330 0.79 ABCG2 (0.39) WHR1EHMT2MAPTTP53POLB

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
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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 (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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB WHR1 4034/4885EHMT2 2664/4885KDM1A 3087/4885

“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.