SCHEMBL423823

SCHEMBL423823

CCN1CCN(C(=O)Cn2c(-c3ccc(OC)cc3)c(-c3ccccc3)c3sc(C(=O)O)cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACHE P22303 2/20 0.40
MAPT P10636 2/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 2/20 0.39
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
Hydrochloric Acid SCHEMBL427756 0.90 PTGS2 (0.47) GAATSHRALDH1A1KMT2AKDM4E
SCHEMBL424160 0.89 PTGS2 (0.48) GAAALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL421690 0.85 CDYL (0.43) ALDH1A1MAPTLMNAPTGS2
SCHEMBL423822 0.84 ACHE (0.41) GAATSHRNPSR1ALDH1A1KMT2A
SCHEMBL4874823 0.82 MAPT (0.39) TSHRALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL423331 0.81 TSPO (0.43) NPSR1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL4868467 0.80 KDM4E (0.44) GAANPSR1ALDH1A1KMT2AKDM4E
SCHEMBL4874071 0.79 ALDH1A1 (0.46) NPSR1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL2988735 0.79 MAPK1 (0.49) ALDH1A1KDM4EHPGDMAPK1HSD17B10
SCHEMBL2996625 0.78 MAPK1 (0.48) TSHRALDH1A1KDM4EHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GAA 451/4885TSHR 4648/4885NPSR1 4321/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GAA 451/4885TSHR 4648/4885NPSR1 4321/4885

“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.