SCHEMBL3701453

SCHEMBL3701453

CCCOc1ccccc1-c1nc2cn[nH]c2c(=O)[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.69
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
GLA P06280 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 1/20 0.57
PDE2A O00408 1/20 0.57
PDE6D O43924 1/20 0.57
USP2 O75604 1/20 0.57
PDE9A O76083 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
ALOX15 P16050 1/20 0.57
PDE6A P16499 1/20 0.57

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
SCHEMBL7965712 0.81 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7076702 0.81 PDE5A (0.62) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7164458 0.81 GUSB (0.81) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7722659 0.80 PDE5A (0.67) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7377997 0.79 PDE5A (0.73) PDE5AKDM4EALDH1A1KMT2AGLA
Zaprinast SCHEMBL6374345 0.79 PDE5A (0.70) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7408452 0.79 PDE5A (0.67) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7722832 0.78 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1
SCHEMBL7414076 0.78 PDE5A (0.69) PDE5AKDM4EALDH1A1KMT2AGLA
SCHEMBL7722716 0.78 PDE5A (1.00) PDE5AKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040583-B2 Treatment of disorders associated with G protein-coupled receptor 35 (GPR35) TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-05-26 US disclosed
US-20120122987-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-05-17 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 (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-20120122987-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) GPR35, GPR68, GRM5 PDE5A 1508/4885KDM4E 4836/4885ALDH1A1 2520/4885

“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.