SCHEMBL381373

SCHEMBL381373

Cc1cc(N)sc1C(=O)N(C)CCN(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.33
CSNK2B P67870 2/20 0.33
CSNK2A1 P68400 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DYRK1A Q13627 2/20 0.32
CLK1 P49759 1/20 0.32
KMT2A Q03164 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HTR2C P28335 1/20 0.31
CHEK1 O14757 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MEN1 O00255 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL381758 0.94 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1HPGDNPC1
SCHEMBL381374 0.82 TSHR (0.36) CSNK2A2CSNK2BCSNK2A1HPGDKMT2A
SCHEMBL381759 0.81 TSHR (0.33) CSNK2A2CSNK2BCSNK2A1HPGDITGB3
SCHEMBL381479 0.79 NPC1 (0.37) CSNK2A2CSNK2BCSNK2A1HPGDNPC1
SCHEMBL4605599 0.79 ALDH1A1 (0.41) HPGDNPC1SMN1; SMN2HTR2C
SCHEMBL14029306 0.73 KDM4E (0.45) HPGDNPC1SMN1; SMN2KMT2AMEN1
SCHEMBL243572 0.73 KDM4E (0.42) HPGDNPC1SMN1; SMN2KMT2AMEN1
SCHEMBL381118 0.72 NPC1 (0.42) HPGDNPC1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL4621697 0.71 KDM4E (0.41) HPGDNPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14507422 0.69 IKBKB (0.45) HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CSNK2A2 954/4885CSNK2B 1266/4885CSNK2A1 1131/4885

“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.