SCHEMBL3249905

SCHEMBL3249905

O=[N+]([O-])c1ccc(SCCO)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B3 P37058 1/20 0.45
MEN1 O00255 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL17583237 0.86 KDM4E (0.49) ALDH1A1L3MBTL1KDM4EMAPTTDP1
SCHEMBL4485136 0.83 KDM4E (0.53) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL14234558 0.81 KDM4E (0.50) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL18700356 0.80 KDM4E (0.47) ALDH1A1L3MBTL1KDM4EMAPTTDP1
SCHEMBL16456689 0.80 CXCR1 (0.51) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL1492578 0.79 KDM4E (0.55) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL4492921 0.79 CYP1A2 (0.54) ALDH1A1KDM4EMAPTKMT2APOLB
SCHEMBL7024261 0.79 MAPT (0.49) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL3506729 0.78 KDM4E (0.77) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL29402979 0.78 KDM4E (0.62) ALDH1A1KDM4EMAPTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362248-B2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP disclosed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 EP disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1911756-A2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 US disclosed
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 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 (4 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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO ALDH1A1 269/4885L3MBTL1 3100/4885KDM4E 3120/4885
US-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 ALDH1A1 613/4885L3MBTL1 4496/4885KDM4E 395/4885
US-20070167473-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PLPBP, PNPO, PDXK ALDH1A1 238/4885L3MBTL1 4315/4885KDM4E 1899/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS ALDH1A1 342/4885L3MBTL1 2953/4885KDM4E 2317/4885

“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.