SCHEMBL5500889

SCHEMBL5500889

CCOC(=N)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.45
NPC1 O15118 2/20 0.45
ELANE P08246 1/20 0.45
DGAT1 O75907 1/20 0.45
PARP1 P09874 1/20 0.44

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
Hydrochloric Acid SCHEMBL1811818 0.98 LMNA (0.52) LMNASMN1; SMN2POLBTDP1CES2
SCHEMBL13108721 0.86 DGAT1 (0.52) TSHRMAPTALDH1A1NPC1DGAT1
Hydrochloric Acid SCHEMBL27635069 0.82 LMNA (0.52) LMNASMN1; SMN2POLBTDP1CES2
SCHEMBL4478269 0.81 NPC1 (0.50) LMNASMN1; SMN2CES2CES1PTGS1
SCHEMBL10040531 0.81 TDP1 (0.49) SMN1; SMN2TDP1MAPTALDH1A1HPGD
SCHEMBL31237097 0.80 POLB (0.62) LMNASMN1; SMN2POLBTDP1CES2
SCHEMBL641903 0.80 POLB (0.62) LMNASMN1; SMN2POLBTDP1CES2
Hydrochloric Acid SCHEMBL2330251 0.79 TDP1 (0.47) SMN1; SMN2TDP1MAPTALDH1A1HPGD
SCHEMBL14210113 0.79 C1S (0.55) LMNATSHRMAPTALDH1A1NPSR1
SCHEMBL5498688 0.79 DGAT1 (0.53) LMNASMN1; SMN2TDP1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ADORX THERAPEUTICS LTD (GB) 2020-10-29 US disclosed
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER ADORX THERAPEUTICS LTD (GB) 2020-10-29 US disclosed
EP-3728236-A1 PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER Adorx therapeutics Limited (GB) 2020-10-28 EP disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
EP-1656360-B1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2007-08-15 EP disclosed
EP-1656360-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-17 EP disclosed
US-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) JASSEN PHARMACEUTICA N.V. (BE) 2005-01-20 US disclosed
WO-2004113309-A1 THIAZOLINE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-29 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-20050014952-A1 Novel thiazoline derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 LMNA 4029/4885SMN1; SMN2 3904/4885POLB 3126/4885
US-20200339548-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER TYMP, TYMS, DPYD LMNA 2831/4885SMN1; SMN2 1949/4885POLB 97/4885
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LMNA 3061/4885SMN1; SMN2 2270/4885POLB 1268/4885

“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.