SCHEMBL1129964

SCHEMBL1129964

COc1ccc(/C=N/C2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
S100B P04271 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2A6 P11509 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
LMNA P02545 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
SCHEMBL1129966 1.00 KMT2A (0.59) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL19233521 0.98 KMT2A (0.62) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL31351734 0.93 KMT2A (0.49) KMT2ARAB9AGRIN2DGRIN3BGRIN1
SCHEMBL31351777 0.93 KMT2A (0.49) KMT2ARAB9AGRIN2DGRIN3BGRIN1
SCHEMBL3585089 0.86 RAB9A (0.52) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL4891605 0.86 RAB9A (0.52) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL4891614 0.86 RAB9A (0.52) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL3585101 0.86 RAB9A (0.52) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL13368811 0.86 RAB9A (0.52) KMT2ARAB9ANPC1GRIN2DGRIN3B
SCHEMBL3585094 0.86 RAB9A (0.52) KMT2ARAB9ANPC1GRIN2DGRIN3B

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 9 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
US-8158135-B2 Imine based liquid crystals for the controlled release of bioactive materials FIRMENICH SA (CH) 2012-04-17 US disclosed
EP-2010231-B1 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH & CIE (CH) 2011-02-16 EP disclosed
US-20090306196-A1 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2009-12-10 US disclosed
EP-2010231-A2 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007113711-A2 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS FIRMENICH SA (CH) 2007-10-11 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 (3 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 KMT2A 1195/4885RAB9A 2970/4885NPC1 2597/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A KMT2A 1042/4885RAB9A 3133/4885NPC1 2477/4885
US-20090306196-A1 IMINE BASED LIQUID CRYSTALS FOR THE CONTROLLED RELEASE OF BIOACTIVE MATERIALS BCHE, ACHE, LIPE KMT2A 4535/4885RAB9A 1589/4885NPC1 3433/4885

“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.