SCHEMBL244793

SCHEMBL244793

N/C(=N\O)c1ccc(Br)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.61
GAA P10253 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A4 P31645 1/20 0.40
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
KDM1A O60341 4/20 0.37
KDM1B Q8NB78 1/20 0.37
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PLAU P00749 1/20 0.35
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL241517 1.00 DGAT1 (0.61) DGAT1GAALMNANPC1ALDH1A1
SCHEMBL16041813 0.85 DGAT1 (0.47) DGAT1GAALMNANPC1ALDH1A1
SCHEMBL16026123 0.85 DGAT1 (0.47) DGAT1GAALMNANPC1ALDH1A1
SCHEMBL2132506 0.85 DGAT1 (0.47) DGAT1GAALMNANPC1ALDH1A1
SCHEMBL29775792 0.80 CES2 (0.52) DGAT1GAANPC1ALDH1A1RAB9A
SCHEMBL640268 0.80 CES2 (0.52) DGAT1GAANPC1ALDH1A1RAB9A
SCHEMBL640267 0.80 CES2 (0.52) DGAT1GAANPC1ALDH1A1RAB9A
SCHEMBL12279653 0.80 CES2 (0.52) DGAT1GAANPC1ALDH1A1RAB9A
SCHEMBL1439040 0.78 GAA (0.40) DGAT1GAALMNAALDH1A1SMN1; SMN2
SCHEMBL13926729 0.78 GAA (0.40) DGAT1GAALMNAKDM1AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134401-B1 ISOXAZOLINE HYDROXAMIC ACID DERIVATIVES AS LPXC INHIBITORS NOVARTIS AG (CH) 2018-06-13 EP disclosed
US-9409918-B2 Bridged bicyclic piperidine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2016-08-09 US disclosed
US-9409918-B2 Bridged bicyclic piperidine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2016-08-09 US disclosed
EP-2493307-B1 BRIDGED BICYCLIC PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2016-04-27 EP disclosed
US-8748412-B2 Phenylalanine derivatives and their use as non-peptide GLP-1 receptor modulators ARGUSINA BIOSCIENCE INC. (KY) 2014-06-10 US disclosed
EP-2531198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS Argusina Inc. (US) 2012-12-12 EP disclosed
US-20120214805-A1 BRIDGED BICYCLIC PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120214805-A1 BRIDGED BICYCLIC PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-08-23 US disclosed
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2012-01-05 US disclosed
WO-2011097300-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA, INC. (US) 2011-08-11 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 (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-20120214805-A1 BRIDGED BICYCLIC PIPERIDINE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR84 DGAT1 543/4885GAA 2648/4885LMNA 2338/4885
US-20120004198-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GPR119 DGAT1 2544/4885GAA 430/4885LMNA 3057/4885

“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.