SCHEMBL380174

SCHEMBL380174

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.38
PTGER4 P35408 1/20 0.37
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 4/20 0.34
NFKB1 P19838 3/20 0.34
NFKB2 Q00653 3/20 0.34
RELA Q04206 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LCK P06239 3/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PKM P14618 1/20 0.34
STAT1 P42224 1/20 0.34
USP2 O75604 1/20 0.34

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
SCHEMBL381119 0.97 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTPTGER4
SCHEMBL380173 0.88 NPC1 (0.40) NPC1RAB9ASMN1; SMN2HTTPTGER4
SCHEMBL381118 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2HTTPTGER4
SCHEMBL14507420 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HTTPTGER4
SCHEMBL381759 0.76 TSHR (0.33) RAB9AALOX15HPGDHDAC3HDAC1
SCHEMBL380945 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL27850551 0.74 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL381374 0.73 TSHR (0.36) HTTMAPTHPGDALDH1A1MEN1
SCHEMBL14507423 0.73 RAB9A (0.49) NPC1RAB9ASMN1; SMN2HTTALOX15
SCHEMBL15061244 0.72 HDAC3 (0.41) MAPTKDM4EHDAC3HDAC1HDAC2

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 NPC1 1488/4885RAB9A 3525/4885SMN1; SMN2 1907/4885

“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.