SCHEMBL4599983

SCHEMBL4599983

O=C=Nc1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAOB P27338 2/20 0.45
TRPA1 O75762 2/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
ALOX5 P09917 2/20 0.45
NFE2L2 Q16236 1/20 0.45
CYP19A1 P11511 1/20 0.45
MAOA P21397 1/20 0.45
HDAC1 Q13547 2/20 0.41
CYP2A6 P11509 1/20 0.41
RELA Q04206 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL4599981 1.00 CYP3A4 (0.47) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL10458458 0.91 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL9680266 0.91 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL9680269 0.91 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL305859 0.91 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL305858 0.91 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL10458459 0.91 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAOBTRPA1
SCHEMBL9679810 0.85 CYP3A4 (0.48) CYP3A4TSHRALDH1A1TRPA1MAPK1
SCHEMBL9679813 0.85 CYP3A4 (0.48) CYP3A4TSHRALDH1A1TRPA1MAPK1
SCHEMBL30657694 0.82 NFE2L2 (0.46) CYP3A4ALDH1A1MAOBTRPA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CYP3A4 2552/4885TSHR 2471/4885ALDH1A1 1732/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CYP3A4 4761/4885TSHR 4481/4885ALDH1A1 2546/4885

“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.