SCHEMBL2116090

SCHEMBL2116090

CCN(C(=O)O)c1cccc(Cn2ccc(N3C(=O)c4ccccc4C3=O)n2)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.31
CACNA1H O95180 3/20 0.31
CACNA1I Q9P0X4 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL2113361 0.80 ALDH1A1 (0.49) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL633494 0.79 TSHR (0.32) MEN1KMT2ARAB9AALDH1A1GAA
SCHEMBL2114944 0.79 MEN1 (0.37) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL15162641 0.78 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL12468720 0.75 ALDH1A1 (0.38) MEN1KMT2AALDH1A1GAA
SCHEMBL634112 0.75 GABRA1 (0.33)
SCHEMBL3440072 0.75 PTPN1 (0.42) CACNA1GCACNA1HCACNA1IMEN1KMT2A
SCHEMBL2113557 0.69 TSHR (0.39) MEN1KMT2AALDH1A1GAA
SCHEMBL2115672 0.69 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IRAB9ANPC1
SCHEMBL634378 0.68 TSHR (0.38) MEN1KMT2AALDH1A1GAA

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 1 patent. 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

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 CACNA1G 4468/4885CACNA1H 4418/4885CACNA1I 4296/4885

“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.