SCHEMBL3100101

SCHEMBL3100101

COc1ccc(C=C[N+](=O)[O-])cc1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.77
EGFR P00533 3/20 0.66
SYK P43405 2/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.66
MAPT P10636 2/20 0.66
MAPK1 P28482 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
GALR2 O43603 1/20 0.66
HTT P42858 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
FBP1 P09467 7/20 0.58
KMT2A Q03164 1/20 0.53
ABL1 P00519 2/20 0.52
ABL2 P42684 2/20 0.52
CYP19A1 P11511 1/20 0.51
PTGS2 P35354 1/20 0.51
HSP90AA1 P07900 2/20 0.50
AGTR1 P30556 1/20 0.50
NPC1 O15118 2/20 0.49

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
SCHEMBL3100099 1.00 VCP (0.77) VCPEGFRSYKALDH1A1LMNA
SCHEMBL807768 0.87 VCP (1.00) VCPEGFRSYKALDH1A1LMNA
SCHEMBL29727003 0.87 VCP (1.00) VCPEGFRSYKALDH1A1LMNA
SCHEMBL793160 0.87 VCP (1.00) VCPEGFRSYKALDH1A1LMNA
SCHEMBL28863042 0.85 VCP (0.97) VCPEGFRSYKALDH1A1LMNA
SCHEMBL29031946 0.83 VCP (0.78) VCPEGFRSYKALDH1A1LMNA
SCHEMBL29572720 0.83 VCP (0.74) VCPEGFRSYKALDH1A1LMNA
SCHEMBL1467335 0.83 VCP (0.74) VCPEGFRSYKALDH1A1LMNA
SCHEMBL13285526 0.83 VCP (0.74) VCPEGFRSYKALDH1A1LMNA
SCHEMBL29031948 0.83 VCP (0.78) VCPEGFRSYKALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed
EP-0244088-A2 1-Phenyl-3-benzazepine compounds and medicaments containing these compounds for treating gastrointestinal motility disorders SMITHKLINE BEECHAM CORPORATION (US) 1987-11-04 EP disclosed
US-4435397-A ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED NIPPON SHINYAKU CO., LTD. (JP) 1984-03-06 US 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD VCP 2417/4885EGFR 2180/4885SYK 3953/4885
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 VCP 404/4885EGFR 4387/4885SYK 3129/4885

“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.