SCHEMBL2332693

SCHEMBL2332693

O=C(O)c1cccnc1Oc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
RAB9A P51151 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
ADRB3 P13945 1/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGER4 P35408 1/20 0.48
MAPK8 P45983 2/20 0.48
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
P2RY1 P47900 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
KDM4C Q9H3R0 1/20 0.46

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
SCHEMBL7674124 0.89 ALDH1A1 (0.58) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL7364681 0.87 RAB9A (0.72) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL2779334 0.84 RAB9A (0.76) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL10971064 0.83 ALDH1A1 (0.72) ALDH1A1POLBGAATDP1MAPK8
SCHEMBL7367990 0.83 RAB9A (0.52) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL861902 0.83 TDP1 (0.71) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL7313745 0.83 KMT2A (0.54) ALDH1A1POLBGAATDP1PTGER4
SCHEMBL10970875 0.83 TDP1 (0.52) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL7374241 0.83 TDP1 (0.59) ALDH1A1POLBGAARAB9ATDP1
SCHEMBL8476272 0.83 ALDH1A1 (0.55) ALDH1A1POLBGAARAB9ATDP1

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-8309734-B2 Substituted pyridines as GPBAR1 agonists HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
EP-2356094-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. Hoffmann-La Roche AG (CH) 2011-08-17 EP disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010049302-A1 NOVEL PHENYL AMIDE OR PYRIDIL AMIDE DERIVATIVES AND THEIR USE AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 WO disclosed
US-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-04-29 US disclosed
EP-1963275-A2 P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF Abbott Laboratories (US) 2008-09-03 EP disclosed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US disclosed
WO-2007056091-A2 2-PHENYL-2H-PYRAZ0LE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed
EP-0053011-A1 New herbicidal nicotinamide derivatives MAY & BAKER LIMITED (GB) 1982-06-02 EP disclosed
US-4327218-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-04-27 US disclosed
US-4270946-A N-Aryl,2-phenoxy nicotinamide compounds and the herbicidal use thereof STAUFFER CHEMICAL COMPANY (US) 1981-06-02 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-20100105906-A1 NOVEL PHENYL AMIDE OR PYRIDYL AMIDE DERIVATIVES GPBAR1, GPR119, GLP1R ALDH1A1 341/4885POLB 2406/4885GAA 1013/4885
US-20070259920-A1 P2X7, receptor antagonists and uses thereof P2RX7, P2RX1, P2RX3 ALDH1A1 2161/4885POLB 4437/4885GAA 3104/4885

“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.