SCHEMBL3608608

SCHEMBL3608608

CCC(=O)c1ccc(SC)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A4 P31645 3/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL3945936 0.88 KDM4E (0.38) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL8115931 0.81 MAPT (0.36) ADORA3ADORA2AADORA2BADORA1MAPT
SCHEMBL4331572 0.79 P4HTM (0.53) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL5371986 0.79 ALDH1A1 (0.44) ADORA3MEN1KMT2AKDM4ELMNA
SCHEMBL2656296 0.78 CYP1A2 (0.49) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL5383142 0.78 PLOD2 (0.43) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL2901448 0.76 P4HTM (0.37) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL13341653 0.76 ALDH1A1 (0.44) MEN1KMT2AKDM4EMAPTTDP1
SCHEMBL2643085 0.76 TDP1 (0.48) ADORA3MEN1KMT2AKDM4EMAPT
SCHEMBL17666650 0.76 HSP90AB1 (0.44) MEN1KMT2AKDM4EMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-02-04 US disclosed
EP-2049521-A2 NOVEL PYRIDAZINE DERIVATIVES Syngeta Participations AG (CH) 2009-04-22 EP disclosed
WO-2008009405-A2 NOVEL PYRIDAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2008-01-24 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-20100029668-A1 NOVEL PYRIDAZINE DERIVATIVES C3AR1, C5, C1S ADORA3 1257/4885ADORA2A 2011/4885ADORA2B 2877/4885

“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.