SCHEMBL1376166

SCHEMBL1376166

O=c1[c]c(S)[nH]c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
CYP1A2 P05177 3/20 0.45
KMT2A Q03164 3/20 0.45
GPR3 P46089 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PARP1 P09874 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
MEN1 O00255 2/20 0.45
TNKS O95271 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
PARP15 Q460N3 1/20 0.45

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
SCHEMBL1374824 0.71 PARP1 (0.47) KDM4EPARP1ADORA3ADORA2AADORA1
SCHEMBL1375673 0.71 AURKA (0.50) ALDH1A1KMT2APARP1MEN1MAPT
SCHEMBL11774508 0.67 KDM4E (0.59) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
Acridone SCHEMBL11519726 0.66 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
Acridone SCHEMBL29360611 0.66 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL4146783 0.66 ALDH1A1 (0.90) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
Acridone SCHEMBL19289 0.66 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL30350396 0.66 ALDH1A1 (0.90) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
Acridone SCHEMBL29641306 0.66 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
Carbazole SCHEMBL4349072 0.65 ALDH1A1 (0.88) ALDH1A1KDM4ESMN1; SMN2LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 EP disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 ALDH1A1 623/4885KDM4E 2575/4885SMN1; SMN2 2712/4885

“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.