SCHEMBL381479

SCHEMBL381479

CNc1cc(C)c(C(=O)N(C)CCN(C)C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.37
SMN1; SMN2 Q16637 9/20 0.37
RAB9A P51151 8/20 0.37
HTT P42858 2/20 0.37
ALOX15 P16050 2/20 0.37
HPGD P15428 7/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 3/20 0.35
RELA Q04206 3/20 0.35
KMT2A Q03164 8/20 0.34
MEN1 O00255 7/20 0.34
PKM P14618 1/20 0.34
STAT1 P42224 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 3/20 0.33
LMNA P02545 3/20 0.33

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
SCHEMBL27850551 0.86 SMN1; SMN2 (0.36) NPC1SMN1; SMN2RAB9AHTTALOX15
SCHEMBL381118 0.80 NPC1 (0.42) NPC1SMN1; SMN2RAB9AHTTALOX15
SCHEMBL381373 0.79 CSNK2A2 (0.33) NPC1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL23682701 0.74 ALOX15 (0.46) NPC1SMN1; SMN2RAB9AHTTALOX15
SCHEMBL381758 0.74 CSNK2A2 (0.37) NPC1SMN1; SMN2RAB9AHPGDALDH1A1
SCHEMBL23815870 0.70 RAB9A (0.42) NPC1SMN1; SMN2RAB9AHTTALOX15
SCHEMBL26241956 0.69 RAB9A (0.42) NPC1SMN1; SMN2RAB9AHTTALOX15
SCHEMBL381273 0.66 GBA1 (0.34)
SCHEMBL380174 0.66 NPC1 (0.38) NPC1SMN1; SMN2RAB9AHTTALOX15
SCHEMBL381374 0.66 TSHR (0.36) HTTHPGDMAPTALDH1A1KMT2A

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

“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.