SCHEMBL381759

SCHEMBL381759

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
APP P05067 2/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ALOX15 P16050 3/20 0.32
RAB9A P51151 1/20 0.31
HDAC6 Q9UBN7 4/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HPGD P15428 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
EPHX2 P34913 2/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL381374 0.96 TSHR (0.36) TSHRAPPCSNK2A2CSNK2BCSNK2A1
SCHEMBL381758 0.84 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1RAB9AHPGD
SCHEMBL381373 0.81 CSNK2A2 (0.33) CSNK2A2CSNK2BCSNK2A1HDAC6HDAC1
SCHEMBL380174 0.76 NPC1 (0.38) ALOX15RAB9AHDAC6HDAC1HDAC3
SCHEMBL27850551 0.74 SMN1; SMN2 (0.36) ALOX15RAB9AHPGD
SCHEMBL380775 0.73 HDAC3 (0.46) TSHRHDAC6HDAC1HDAC3HDAC2
SCHEMBL381119 0.72 NPC1 (0.39) ALOX15RAB9AHDAC6HDAC1HDAC3
SCHEMBL4605599 0.72 ALDH1A1 (0.41) RAB9AHPGD
SCHEMBL380229 0.71 KDM4E (0.35) APPCSNK2A2CSNK2BCSNK2A1RAB9A
SCHEMBL767860 0.70 HDAC1 (0.48) HDAC6HDAC1HDAC3HDAC2HDAC8

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 573/4885APP 4128/4885CSNK2A2 954/4885

“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.