SCHEMBL883145

SCHEMBL883145

NCC(=O)c1ccc(COc2ccc(C(=O)CN)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.68
PTPRC P08575 1/20 0.61
PTPN2 P17706 1/20 0.61
PTPN1 P18031 1/20 0.61
MAOB P27338 2/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
F2 P00734 2/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
PRSS3 P35030 1/20 0.58
TMPRSS6 Q8IU80 1/20 0.58
ST14 Q9Y5Y6 1/20 0.58
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL13238323 0.92 SMN1; SMN2 (0.69) PARP10MAOBRAB9ASMN1; SMN2MAPT
SCHEMBL2013554 0.91 PARP10 (0.71) PARP10PTPRCPTPN2PTPN1MAOB
Hydrochloric Acid SCHEMBL4199637 0.90 PARP10 (0.69) PARP10MAOBRAB9ASMN1; SMN2MAPT
SCHEMBL10234308 0.82 ALDH1A1 (0.45) PARP10PTPRCPTPN2PTPN1MAOB
SCHEMBL882722 0.81 PARP10 (0.62) PARP10PTPRCPTPN2PTPN1MAOB
SCHEMBL8134318 0.79 NR4A2 (0.85) PARP10PTPRCPTPN2PTPN1RAB9A
SCHEMBL883105 0.78 PARP10 (0.58) PARP10RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11660630 0.78 ALOX15 (0.57) RAB9ASMN1; SMN2MAPTNPC1MEN1
SCHEMBL2008979 0.77 MAPK1 (0.56) PARP10MAOBRAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL8322841 0.76 ALOX15 (0.55) RAB9ASMN1; SMN2MAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 US disclosed
WO-2012039717-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-29 WO disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO 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 (2 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PARP10 4090/4885PTPRC 77/4885PTPN2 861/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PARP10 4090/4885PTPRC 77/4885PTPN2 861/4885

“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.