SCHEMBL3671422

SCHEMBL3671422

CN(C)c1ccc(-c2cccc3c2Cc2ccccc2-3)c(C(=N)C2CCCCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 5/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR2B P41595 1/20 0.32
PNMT P11086 1/20 0.32
HTR1A P08908 4/20 0.31
HTR2A P28223 1/20 0.31
HTR6 P50406 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL3681694 0.83 HTR7 (0.41) NPC1RAB9ASMN1; SMN2HTR7CYP2C9
SCHEMBL3679790 0.80 NPC1 (0.36) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL3677255 0.80 PNMT (0.35) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL3681430 0.79 RAB9A (0.36) NPC1RAB9AHSD17B10HTR7CYP1A2
SCHEMBL3213680 0.77 KDM4E (0.36) NPC1RAB9AHSD17B10KDM4EGFER
SCHEMBL3681731 0.76 HTR7 (0.35) NPC1RAB9AHSD17B10HTR7CYP1A2
SCHEMBL3682819 0.76 PNMT (0.34) NPC1RAB9AHSD17B10HTR7CYP1A2
SCHEMBL3210942 0.74 PSMB5 (0.33) NPC1RAB9AHSD17B10KDM4EGFER
SCHEMBL3682835 0.73 HTR7 (0.36) NPC1RAB9AHSD17B10KDM4ESMN1; SMN2
SCHEMBL3208235 0.73 PSMB5 (0.32) NPC1RAB9AHSD17B10KDM4EGFER

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 1759/4885HSD17B10 274/4885
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 1759/4885HSD17B10 274/4885

“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.