SCHEMBL20871103

SCHEMBL20871103

C=CC/N=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 2/20 0.40
PTGS1 P23219 2/20 0.40
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38
AHR P35869 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FBP1 P09467 1/20 0.36
NQO2 P16083 1/20 0.36

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
SCHEMBL28205339 0.76 CA1 (0.45) LMNASMN1; SMN2ALDH1A1PTGS2PTGS1
SCHEMBL30338779 0.76 CA2 (0.51) LMNASMN1; SMN2ALDH1A1PTGS2PTGS1
SCHEMBL20871102 0.75 RAB9A (0.52) SMN1; SMN2ALDH1A1PTGS2PTGS1MAPK1
SCHEMBL3567647 0.75 NPC1 (0.41) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3567649 0.75 NPC1 (0.41) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL29333030 0.75 NPC1 (0.41) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL8141068 0.74 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL6888679 0.74 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL7603166 0.74 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL4636225 0.72 LMNA (0.43) LMNASMN1; SMN2ALDH1A1PTGS2PTGS1

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
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 US disclosed
WO-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 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 (2 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 LMNA 944/4885SMN1; SMN2 2857/4885ALDH1A1 179/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A LMNA 1096/4885SMN1; SMN2 2752/4885ALDH1A1 182/4885

“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.