SCHEMBL2018527

SCHEMBL2018527

O=[N+]([O-])c1ccc(N2CCCC(O)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.52
SIRT6 Q8N6T7 2/20 0.50
POLB P06746 1/20 0.50
ADRB1 P08588 1/20 0.50
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL16651521 1.00 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL854301 0.91 MAPT (0.56) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL2126184 0.91 MAPT (0.56) MAPTALDH1A1MAPK1SIRT6POLB
SCHEMBL6218863 0.88 MAPT (0.66) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL3549925 0.84 MAPT (0.58) MAPTALDH1A1LMNASIRT6POLB
SCHEMBL4342323 0.84 MEN1 (0.54) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL4003076 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL30135522 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL6610334 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL9983992 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022216098-A1 NOVEL LRRK2 INHIBITOR 주식회사 스탠다임 2022-10-13 WO disclosed
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 WO disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 US disclosed
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815909-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8710049-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
WO-2006135383-A2 INDAZOLES MYRIAD GENETICS, INC. (US) 2006-12-21 WO disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
CN-1433417-A Pyridopyrimidinone derivatives for treatment of neurodegenerative disease WARNER LAMBERT CO (US) 2003-07-30 CN disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO disclosed
US-5296485-A Substituted N-phenylpiperidines and drugs therefrom BASF AKTIENGESELLSCHAFT (DE) 1994-03-22 US disclosed
EP-0503411-A1 Substituted N-phenylpiperidines and medicaments thereof BASF Aktiengesellschaft (DE) 1992-09-16 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 (3 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 MAPT 2259/4885ALDH1A1 1162/4885MAPK1 158/4885
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B MAPT 4147/4885ALDH1A1 1315/4885MAPK1 3371/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B MAPT 4147/4885ALDH1A1 1315/4885MAPK1 3371/4885

“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.