SCHEMBL2526762

SCHEMBL2526762

CCc1cccc(CC)c1N1CSC(C)=C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
HTR1A P08908 3/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 3/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
DRD3 P35462 3/20 0.34
ANPEP P15144 2/20 0.33
DPP4 P27487 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPEPPS P55786 2/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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 SCHEMBL2523592 0.98 CRHBP (0.42) CRHBPCRHR2GABRA1GABRB2HTR1A
SCHEMBL14763526 0.89 CRHBP (0.38) CRHBPCRHR2HTR1ADRD2DRD4
SCHEMBL2523158 0.72 GABRA1 (0.35) GABRA1GABRB2HTR2CANPEPDPP4
SCHEMBL15952821 0.69 BRD9 (0.33) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL11504569 0.68 ALDH1A1 (0.40) CRHBPCRHR2GABRA1GABRB2HTR1A
SCHEMBL11504570 0.68 ALDH1A1 (0.40) CRHBPCRHR2GABRA1GABRB2HTR1A
Hydrochloric Acid SCHEMBL1697541 0.67 SIGMAR1 (0.38) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL2521179 0.66 ALDH1A1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL28045651 0.65 GABRA1 (0.46) CRHBPCRHR2GABRA1GABRB2HTR1A
Hydrochloric Acid SCHEMBL2525284 0.64 ALDH1A1 (0.40) MEN1KMT2AALDH1A1

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
EP-2104566-B1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INST OF TECHN (US) 2016-01-27 EP disclosed
US-8039566-B2 Olefin metathesis initiators bearing thiazol-2-ylidene ligands CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-10-18 US disclosed
US-20100144987-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-06-10 US disclosed
CN-101594937-A The olefin metathesis initiators that contains inferior thiazol-2-yl part CALIFORNIA INST OF TECHN (US) 2009-12-02 CN disclosed
EP-2104566-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-30 EP disclosed
WO-2008064223-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 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-20100144987-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS TEC, OXER1, CCNL2 CRHBP 3776/4885CRHR2 3091/4885GABRA1 4094/4885

“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.