Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6461567

Cc1cc(N[C@H]2CC[C@@H](NC(=O)c3cccnc3Oc3ccc(F)cc3)CC2)nc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
CNR2 P34972 3/20 0.46
KMT2A Q03164 1/20 0.44
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADRA2A P08913 1/20 0.42
MCHR1 Q99705 1/20 0.42
PDE4B Q07343 1/20 0.42

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
SCHEMBL6455217 0.96 CNR1 (0.49) CNR1CNR2KMT2APDE10AKDM4E
SCHEMBL6455213 0.96 CNR1 (0.49) CNR1CNR2KMT2APDE10AKDM4E
Hydrochloric Acid SCHEMBL6455955 0.95 CNR1 (0.48) CNR1CNR2KMT2APDE10AKDM4E
Hydrochloric Acid SCHEMBL6455948 0.95 CNR1 (0.48) CNR1CNR2KMT2APDE10AKDM4E
Trifluoroacetic Acid SCHEMBL6456845 0.93 PDE10A (0.43) CNR1CNR2KMT2APDE10AKDM4E
SCHEMBL6463804 0.90 KDM4E (0.51) CNR1CNR2KMT2APDE10AKDM4E
SCHEMBL6463808 0.90 KDM4E (0.51) CNR1CNR2KMT2APDE10AKDM4E
SCHEMBL6461557 0.90 L3MBTL1 (0.51) CNR1CNR2KMT2APDE10AKDM4E
SCHEMBL6461551 0.90 L3MBTL1 (0.51) CNR1CNR2KMT2APDE10AKDM4E
Hydrochloric Acid SCHEMBL6456402 0.90 KDM4E (0.50) CNR1CNR2KMT2APDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CNR1 77/4885CNR2 52/4885KMT2A 693/4885

“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.