SCHEMBL4986019

SCHEMBL4986019

NC(=O)c1ccccc1[CH]COCc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HCRTR1 O43613 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ADRA1D P25100 1/20 0.42
TACR1 P25103 2/20 0.41
MEN1 O00255 2/20 0.41
GRIN2B Q13224 1/20 0.41
MAPK8 P45983 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4988520 0.85 SIRT2 (0.43) KMT2AKDM4EALDH1A1SIRT2ADRA1D
SCHEMBL4988231 0.78 L3MBTL1 (0.42) IDO1KMT2AKDM4EALDH1A1SIRT2
SCHEMBL27702468 0.75 PARP1 (0.65) KMT2ACYP1A2CYP2C19HCRTR1ALDH1A1
SCHEMBL3461101 0.70 ADRA1D (0.49) KMT2AKDM4EALDH1A1SIRT2ADRA1D
SCHEMBL10866481 0.69 CYP3A4 (0.69) CYP3A4IDO1AGXTHCAR2TACR1
SCHEMBL7659252 0.69 HCAR2 (0.60) CYP3A4IDO1AGXTKDM4EHCAR2
SCHEMBL4987201 0.69 MRGPRX4 (0.43) CYP3A4CYP2C19ALDH1A1NPSR1PARP1
SCHEMBL176816 0.68 KDM4E (0.45) KMT2AKDM4EALDH1A1ADRA1DNPC1
SCHEMBL9903444 0.68 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9APARP1
SCHEMBL2284663 0.68 RXRA (0.55) CYP3A4IDO1AGXTHCAR2TACR1

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-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 CYP3A4 1004/4885IDO1 3133/4885AGXT 874/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 CYP3A4 1004/4885IDO1 3133/4885AGXT 874/4885

“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.