SCHEMBL6166947

SCHEMBL6166947

COc1cc(CCN(C)C(=O)C=Cc2cccnc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.53
CYP1A2 P05177 9/20 0.53
CYP1B1 Q16678 9/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 2/20 0.48
RAB9A P51151 2/20 0.45
NTSR1 P30989 1/20 0.45
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
JUN P05412 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43

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
SCHEMBL6166941 1.00 CYP1A1 (0.53) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6166154 0.99 CYP1A1 (0.52) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6166145 0.99 CYP1A1 (0.52) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL6166697 0.90 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL6166690 0.90 CYP1A1 (0.58) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL7994636 0.80 RAB9A (0.46) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL7994633 0.80 RAB9A (0.46) CYP1A1CYP1A2CYP1B1ALDH1A1KDM4E
SCHEMBL6167690 0.77 CYP1A2 (0.53) CYP1A1CYP1A2CYP1B1KDM4EPOLB
SCHEMBL6167684 0.77 CYP1A2 (0.53) CYP1A1CYP1A2CYP1B1KDM4EPOLB
Hydrochloric Acid SCHEMBL6167398 0.76 CYP1A2 (0.52) CYP1A1CYP1A2CYP1B1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP1A1 194/4885CYP1A2 125/4885CYP1B1 120/4885

“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.