SCHEMBL883159

SCHEMBL883159

NCC(=O)c1ccc(-c2ccc(C(=O)CN)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 2/20 0.50
PTPN1 P18031 2/20 0.50
GSK3B P49841 2/20 0.50
RAB9A P51151 2/20 0.48
FFAR1 O14842 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
HIF1A Q16665 1/20 0.48
HAO1 Q9UJM8 4/20 0.47
HPGD P15428 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SRD5A2 P31213 1/20 0.45
USP2 O75604 1/20 0.45
AGTR1 P30556 1/20 0.42
MMP2 P08253 1/20 0.41

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
Hydrochloric Acid SCHEMBL690938 0.97 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
SCHEMBL8744738 0.91 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
Hydrochloric Acid SCHEMBL13738814 0.89 GSK3B (0.42) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
Hydrochloric Acid SCHEMBL1533600 0.89 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
Bromide SCHEMBL1443516 0.89 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
SCHEMBL29291717 0.89 GSK3B (0.55) SMN1; SMN2L3MBTL1MAPTGSK3BRAB9A
Hydrochloric Acid SCHEMBL8794334 0.87 BCL2L1 (0.55) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
SCHEMBL29291728 0.84 HDAC3 (0.59) MAPTGSK3BRAB9ALMNAALDH1A1
SCHEMBL1314790 0.84 PLAU (0.46) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B
SCHEMBL29291730 0.84 BCL2L1 (0.42) SMN1; SMN2L3MBTL1MAPTPTPN1GSK3B

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507232-B1 PROLINE DERIVATIVES NATIONAL HEALTH RES INST (TW) 2019-03-20 EP disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-12-04 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
WO-2008021936-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021928-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080044380-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US 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 (7 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-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885
US-20080299075-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885
US-20080044380-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS SMN1; SMN2 4352/4885L3MBTL1 3763/4885MAPT 4065/4885

“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.