SCHEMBL6169337

SCHEMBL6169337

COc1cc(/C=C/[N+](=O)[O-])cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 5/20 0.68
ALDH1A1 P00352 3/20 0.62
HTT P42858 3/20 0.62
SYK P43405 2/20 0.62
EGFR P00533 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.62
PTGS2 P35354 1/20 0.62
GALR2 O43603 1/20 0.62
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TUBB4A P04350 4/20 0.59
TUBB P07437 4/20 0.59
TUBA3C P0DPH7 4/20 0.59
TUBA1B P68363 4/20 0.59
TUBA4A P68366 4/20 0.59
TUBB4B P68371 4/20 0.59
TUBB3 Q13509 4/20 0.59
TUBB2A Q13885 4/20 0.59

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
SCHEMBL6169341 1.00 VCP (0.68) VCPALDH1A1HTTSYKEGFR
SCHEMBL21693980 0.89 VCP (0.59) VCPALDH1A1HTTSYKEGFR
SCHEMBL21693983 0.89 VCP (0.59) VCPALDH1A1HTTSYKEGFR
SCHEMBL25178513 0.86 VCP (0.68) VCPALDH1A1HTTSYKEGFR
SCHEMBL26980006 0.85 VCP (0.59) VCPALDH1A1HTTSYKEGFR
SCHEMBL11229392 0.84 VCP (0.69) VCPALDH1A1HTTSYKEGFR
SCHEMBL25196775 0.84 VCP (0.66) VCPALDH1A1HTTSYKEGFR
SCHEMBL30302242 0.83 LMNA (0.59) VCPALDH1A1HTTSYKEGFR
SCHEMBL27389730 0.83 LMNA (0.59) VCPALDH1A1HTTSYKEGFR
SCHEMBL26980154 0.82 VCP (0.55) VCPALDH1A1HTTSYKEGFR

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
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN claimed
CN-111116613-B Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2021-04-23 CN disclosed
CN-111116613-A Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof 湘潭大学 2020-05-08 CN disclosed
US-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US disclosed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP disclosed
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 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 (1 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A VCP 4766/4885ALDH1A1 245/4885HTT 4488/4885

“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.