SCHEMBL3679790

SCHEMBL3679790

CN(C)c1ccc(-c2cccc3c2Cc2ccccc2-3)c(C(=N)C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDK2 Q15119 1/20 0.36
PNMT P11086 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
HTR7 P34969 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAOA P21397 2/20 0.34
HTR2B P41595 2/20 0.34
MAOB P27338 1/20 0.34
PGR P06401 1/20 0.33
PTGS2 P35354 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3681430 0.84 RAB9A (0.36) NPC1RAB9APDK2PNMTCYP1A2
SCHEMBL3679002 0.82 HTR2B (0.44) NPC1RAB9APNMTCYP1A2CYP2C9
SCHEMBL3681731 0.81 HTR7 (0.35) NPC1RAB9APDK2PNMTCYP1A2
SCHEMBL3682819 0.80 PNMT (0.34) NPC1RAB9APDK2PNMTCYP1A2
SCHEMBL3671422 0.80 NPC1 (0.33) NPC1RAB9APNMTCYP1A2CYP2C9
SCHEMBL3681402 0.79 NPC1 (0.40) NPC1RAB9APNMTCYP1A2CYP2C9
SCHEMBL3207517 0.73 PDK2 (0.35) NPC1RAB9APDK2HSD17B10ALDH1A1
SCHEMBL3203636 0.72
SCHEMBL1639476 0.71 CYP1A2 (0.58) NPC1RAB9APDK2CYP1A2CYP2C9
SCHEMBL3676091 0.71 NPC1 (0.40) NPC1RAB9APNMTCYP1A2CYP2C9

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-7732643-B2 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME HANAOKA HIDENORI 2010-02-25 US disclosed
US-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same HANAOKA HIDENORI 2009-02-26 US disclosed
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 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 (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-20090054607-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same C1R, C1S, AP1M1 NPC1 2173/4885RAB9A 1759/4885PDK2 2808/4885
US-20100048933-A1 TRANSITION METAL COMPLEX, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME C1R, C1S, AP1M1 NPC1 2173/4885RAB9A 1759/4885PDK2 2808/4885

“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.