SCHEMBL11896552

SCHEMBL11896552

Nc1ccc(Cl)cc1-c1nccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.50
IDO1 P14902 5/20 0.45
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
HSP90AA1 P07900 1/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FBP1 P09467 1/20 0.40
DYRK3 O43781 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39

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
SCHEMBL6309721 0.86 GCK (0.47) GCKCYP1A1CYP1A2CYP1B1HSP90AA1
SCHEMBL457582 0.82 HSP90AA1 (0.43) GCKHSP90AA1TSHRALDH1A1SMN1; SMN2
SCHEMBL2029417 0.82 FBP1 (0.45) GCKIDO1CYP1A1CYP1A2CYP1B1
Hydrochloric Acid SCHEMBL4612966 0.81 HSP90AA1 (0.42) GCKHSP90AA1TSHRALDH1A1SMN1; SMN2
SCHEMBL6129331 0.79 CYP1A2 (0.42) GCKCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL996582 0.79 F2RL1 (0.49) CYP1A1CYP1A2CYP1B1HSP90AA1TSHR
SCHEMBL999144 0.79 SRC (0.42) HSP90AA1TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL4613518 0.79 ADRB2 (0.40) GCKCYP1A1CYP1A2CYP1B1HSP90AA1
SCHEMBL8859981 0.79 FBP1 (0.49) CYP1A1CYP1A2CYP1B1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10517968 0.78 F2RL1 (0.48) CYP1A1CYP1A2CYP1B1HSP90AA1TSHR

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
EP-2668186-B1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2017-05-03 EP disclosed
US-8716309-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-06 US disclosed
EP-2668186-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK Biopharmaceuticals Co., Ltd. (KR) 2013-12-04 EP disclosed
US-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-11-28 US disclosed
WO-2012102580-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-08-02 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-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR GCK 59/4885IDO1 1203/4885CYP1A1 843/4885

“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.