SCHEMBL8320595

SCHEMBL8320595

COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc3ccccc23)N1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.77
KDM4E B2RXH2 6/20 0.68
HSD17B10 Q99714 2/20 0.68
TSHR P16473 2/20 0.68
HTT P42858 1/20 0.68
CCKBR P32239 2/20 0.68
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 5/20 0.55
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
GAA P10253 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
ALOX12 P18054 1/20 0.51

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
SCHEMBL8320164 0.88 PDE5A (0.78) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL14121801 0.87 PDE5A (1.00) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL14122492 0.87 PDE5A (1.00) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL17760544 0.87 PDE5A (0.81) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL1922309 0.87 PDE5A (0.81) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL14121773 0.87 PDE5A (1.00) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL14121637 0.87 PDE5A (1.00) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL8320305 0.87 PDE5A (1.00) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL17760644 0.87 PDE5A (0.81) PDE5AKDM4EHSD17B10TSHRHTT
SCHEMBL8316735 0.86 CYP2D6 (0.71) PDE5AKDM4EHSD17B10TSHRHTT

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-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 US disclosed
WO-2004113336-A1 CARBOLINE AND BETACARBOLINE DERIVATIVES FOR USE AS HDAC ENZYME INHIBITORS CHROMA THERAPEUTICS LIMITED (GB) 2004-12-29 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 (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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N PDE5A 4136/4885KDM4E 4210/4885HSD17B10 1523/4885

“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.