SCHEMBL633494

SCHEMBL633494

CCN(C(=O)O)c1cccc(Cn2nccc2N2C(=O)c3ccccc3C2=O)c1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ANPEP P15144 2/20 0.30
DPP4 P27487 2/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL2116090 0.79 CACNA1G (0.31) GAAMEN1RAB9AKMT2AALDH1A1
SCHEMBL3715088 0.78 GRM5 (0.39) TSHRGAANPSR1MEN1KMT2A
SCHEMBL2113557 0.70 TSHR (0.39) TSHRGAAHPGDKDM4ELMNA
SCHEMBL31440075 0.70 MEN1 (0.41) GAAHPGDKDM4EHTTMEN1
SCHEMBL634378 0.69 TSHR (0.38) TSHRGAAHPGDKDM4ELMNA
SCHEMBL2113361 0.68 ALDH1A1 (0.49) TSHRLMNAL3MBTL1MEN1RAB9A
SCHEMBL20550632 0.66 TSHR (0.42) TSHRKDM4ELMNAHTTMEN1
SCHEMBL8751588 0.65 TSHR (0.52) TSHRGAAHPGDKDM4ELMNA
SCHEMBL634112 0.64 GABRA1 (0.33)
SCHEMBL17078095 0.63 TSHR (0.48) TSHRGAAKDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
EP-2419426-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS Glaxo Group Limited (GB) 2012-02-22 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 (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-20120095064-A1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS H1-3, CHRM2, TBL3 TSHR 93/4885GAA 4493/4885HPGD 1649/4885

“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.