SCHEMBL655938

SCHEMBL655938

CCOC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 5/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
HTR2A P28223 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 2/20 0.50
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.47
NR5A1 Q13285 1/20 0.47
CA1 P00915 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
SCHEMBL11515737 0.92 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL11513899 0.91 MAPT (0.50) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL830301 0.89 LMNA (0.56) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL11708706 0.87 MAPT (0.56) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL15516165 0.86 MAPT (0.59) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL831079 0.85 LMNA (0.52) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL16261809 0.85 LMNA (0.52) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL16261887 0.84 HTR2A (0.59) MAPTCRHBPCRHR2LMNAKMT2A
SCHEMBL829972 0.84 KMT2A (0.64) MAPTL3MBTL1LMNAKMT2AMEN1
SCHEMBL30283493 0.84 ALDH1A1 (0.61) MAPTL3MBTL1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102174024-B 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS INC 2015-02-11 CN disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-8148525-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed
US-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2012-02-23 US disclosed
EP-1471915-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2011-09-14 EP disclosed
CN-102174024-A 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS INC 2011-09-07 CN disclosed
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses RIGEL PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
CN-1625400-B 2, 4-pyrimidinediamine compounds and uses thereof RIGEL PHARMACEUTICALS INC 2011-04-13 CN disclosed
US-7906644-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-03-15 US disclosed
EP-2281563-A1 2,4-Pyrimidinediamine compounds and their uses Rigel Pharmaceuticals, Inc. (US) 2011-02-09 EP disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
CN-1625400-A 2, 4-pyrimidinediamine compounds and uses thereof RIGEL PHARMACEUTICALS INC (US) 2005-06-08 CN disclosed
EP-0107216-B1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND METHOD OF CONTROLLING UNWANTED PLANT GROWTH SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-10-01 EP disclosed
US-4452626-A Herbicidal 4-(benzotriazol-1-yl)phenoxy)alkanoic acids, esters and salts SHELL OIL COMPANY (US) 1984-06-05 US disclosed
EP-0107216-A1 Heterocyclic compounds, their preparation, compositions containing them and method of controlling unwanted plant growth SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-05-02 EP disclosed
US-4439226-A Herbicidal 4-((benzimidazol-1-yl)phenoxy)alkanoic acids, esters and salts SHELL OIL COMPANY (US) 1984-03-27 US disclosed
US-4348534-A Preparation of 2-aryloxy-2-haloproptonic acid compounds BASF AKTIENGESELLSCHAFT (DE) 1982-09-07 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 (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-20120045454-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885CRHBP 4065/4885CRHR2 1902/4885
US-20110144330-A1 2,4-Pyrimidinediamine Compounds and their Uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885CRHBP 4065/4885CRHR2 1902/4885

“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.