SCHEMBL2855932

SCHEMBL2855932

COc1ccc(-n2ncc(C(=O)O)c2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
PKM P14618 1/20 0.64
PTPN1 P18031 1/20 0.58
MAPK14 Q16539 1/20 0.56
MAPK1 P28482 1/20 0.55
OXTR P30559 1/20 0.55
GFER P55789 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 3/20 0.48
SLC9A1 P19634 1/20 0.48
SLC9A2 Q9UBY0 1/20 0.48
S1PR4 O95977 1/20 0.48
S1PR1 P21453 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL15167777 0.84 MAPK1 (0.51) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL6313505 0.84 RAB9A (0.67) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL6052256 0.84 MAPK1 (0.61) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL10365375 0.84 PTPN1 (0.57) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL3296237 0.84 PTPN1 (0.79) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL29209982 0.83 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL29209980 0.83 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL6180207 0.83 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL6319475 0.83 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL27692438 0.83 HSD11B1 (0.62) NPC1RAB9AMAPTSMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-2837627-B1 AMIDOPYRIDINE DERIVATIVE, AND USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2017-01-18 EP disclosed
US-9527859-B2 Amidopyridine derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-27 US disclosed
US-9527859-B2 Amidopyridine derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-27 US disclosed
US-9527859-B2 Amidopyridine derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-27 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed
EP-0783502-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-07-16 EP disclosed
WO-1997005131-A1 NEW CARBOXAMIDES WITH ANTIFUNGAL ACTIVITY J. URIACH & CIA. S.A. (ES) 1997-02-13 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE NPC1 333/4885RAB9A 3129/4885MAPT 3007/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 NPC1 264/4885RAB9A 2117/4885MAPT 4418/4885

“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.