SCHEMBL381374

SCHEMBL381374

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CTSG P08311 1/20 0.32
ACKR3 P25106 4/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
APP P05067 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL381759 0.96 TSHR (0.33) TSHRCSNK2A2CSNK2BCSNK2A1HPGD
SCHEMBL381758 0.85 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1HPGDITGB3
SCHEMBL381373 0.82 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1HPGDITGB3
SCHEMBL381119 0.76 NPC1 (0.39) HPGDHTTMEN1ALDH1A1KMT2A
SCHEMBL27850551 0.75 SMN1; SMN2 (0.36) HPGDHTTMEN1ALDH1A1KMT2A
SCHEMBL4605599 0.73 ALDH1A1 (0.41) HPGDHTTALDH1A1TP53
SCHEMBL380174 0.73 NPC1 (0.38) HPGDHTTMEN1ALDH1A1KMT2A
SCHEMBL380775 0.69 HDAC3 (0.46) TSHRALDH1A1MAPT
SCHEMBL243572 0.68 KDM4E (0.42) TSHRHPGDMEN1ALDH1A1KMT2A
SCHEMBL380229 0.67 KDM4E (0.35) CSNK2A2CSNK2BCSNK2A1ACKR3APP

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 TSHR 573/4885CSNK2A2 954/4885CSNK2B 1266/4885

“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.