Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6456845

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PDE4B Q07343 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UGCG Q16739 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
SCHEMBL6466882 0.95 KDM4E (0.47) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6466886 0.95 KDM4E (0.47) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6458051 0.95 KDM4E (0.46) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6458059 0.95 KDM4E (0.46) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6461567 0.93 CNR1 (0.46) PDE10AKDM4ELMNASMN1; SMN2PDE4B
SCHEMBL6463804 0.90 KDM4E (0.51) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6463808 0.90 KDM4E (0.51) PDE10AKDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL6455213 0.89 CNR1 (0.49) PDE10AKDM4ELMNASMN1; SMN2PDE4B
SCHEMBL6455217 0.89 CNR1 (0.49) PDE10AKDM4ELMNASMN1; SMN2PDE4B
SCHEMBL6461557 0.89 L3MBTL1 (0.51) PDE10AKDM4ELMNASMN1; SMN2CNR1

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 1 patent. 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

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 PDE10A 1335/4885KDM4E 1190/4885LMNA 3391/4885

“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.