SCHEMBL5774414

SCHEMBL5774414

CN(CCOS(C)(=O)=O)c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP19A1 P11511 6/20 0.38
CACNA1H O95180 1/20 0.38
CACNA1B Q00975 1/20 0.38
PGR P06401 2/20 0.37
NR3C1 P04150 1/20 0.37
MMP2 P08253 2/20 0.36
MMP3 P08254 1/20 0.36
NR1H3 Q13133 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.35
STS P08842 1/20 0.35
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35

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
SCHEMBL5258061 0.81 HCRTR2 (0.45) CACNA1HCACNA1BALDH1A1
SCHEMBL22804712 0.80 TSHR (0.38) TSHRALDH1A1MAPT
SCHEMBL5656552 0.80 KDM4E (0.36) CACNA1HCACNA1BNR3C1TSHRALDH1A1
SCHEMBL2401899 0.79 CA12 (0.47) NR3C1CA2CA9TSHRALDH1A1
SCHEMBL13618783 0.78 CYP2A6 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4MMP3
SCHEMBL1284402 0.76 F2 (0.47) TSHRALDH1A1
SCHEMBL4510392 0.75 MMP2 (0.48) CYP19A1CACNA1HCACNA1BMMP2MMP3
SCHEMBL4503820 0.75 CYP19A1 (0.41) CYP19A1CA1CA2CA9TSHR
SCHEMBL6275066 0.74 MAPT (0.57) CACNA1HCACNA1BMMP2MMP3CA1
SCHEMBL2961510 0.74 CYP2A6 (0.46) CYP19A1CA1CA2CA9TSHR

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT CHRNB2 1396/4885CHRNB4 2329/4885CHRNA3 1331/4885

“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.