SCHEMBL2079376

SCHEMBL2079376

NC(=O)CCCOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
TEAD3 Q99594 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PARP10 Q53GL7 1/20 0.45
SPHK1 Q9NYA1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC1A1 P43005 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
SCHEMBL6167903 0.95 EPHX2 (0.53) TSHREPHX2LMNATEAD3HTT
Hydrochloric Acid SCHEMBL3236215 0.93 EPHX2 (0.52) TSHREPHX2LMNATEAD3HTT
SCHEMBL6382531 0.93 EPHX2 (0.56) TSHREPHX2LMNATEAD3HTT
SCHEMBL906396 0.91 TSHR (0.52) TSHRLMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL22266190 0.87 TSHR (0.48) TSHRLMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL291194 0.87 SMN1; SMN2 (0.57) TSHREPHX2TEAD3HTTSMN1; SMN2
SCHEMBL18248543 0.86 TSHR (0.47) TSHREPHX2LMNATEAD3HTT
SCHEMBL27375020 0.86 TSHR (0.47) TSHREPHX2LMNATEAD3HTT
SCHEMBL7783838 0.84 TSHR (0.45) TSHREPHX2LMNATEAD3HTT
SCHEMBL24756824 0.84 SMN1; SMN2 (0.53) TSHREPHX2LMNATEAD3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014144547-A2 AMIDE DERIVATIVES OF LACTAM BASED N-ACYLETHANOLAMINE ACID AMIDASE (NAAA) INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-09-18 WO disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed
EP-1670460-A4 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
EP-1670460-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2006-06-21 EP disclosed
US-20050124652-A1 Guanidino compounds BOYCE RUSTUM (US) 2005-06-09 US disclosed
WO-2005037199-A2 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-28 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-20050124652-A1 Guanidino compounds MC4R, MC2R, GPR4 TSHR 299/4885EPHX2 3591/4885LMNA 2439/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 TSHR 867/4885EPHX2 3103/4885LMNA 4712/4885

“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.