SCHEMBL390889

SCHEMBL390889

Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2cc(F)cc(F)c2F)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.76
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
GPR84 Q9NQS5 6/20 0.37
MAPK1 P28482 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL392167 0.88 CYP1A2 (0.60) CYP1A2ALDH1A1L3MBTL1GPR84CCNA2
SCHEMBL390180 0.88 CYP1A2 (0.76) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL391954 0.88 CYP1A2 (0.85) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL386352 0.84 CYP1A2 (0.79) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL389483 0.84 CYP1A2 (0.79) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
Oxalic Acid SCHEMBL29656847 0.82 CYP1A2 (0.90) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL387141 0.80 CYP1A2 (0.76) CYP1A2GPR84GPR119
SCHEMBL5050930 0.77 ALDH1A1 (0.44) CYP1A2MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL388328 0.76 CYP1A2 (0.76) CYP1A2ALDH1A1HPGDKDM4EGAA
SCHEMBL389688 0.76 CYP1A2 (0.59) CYP1A2ALDH1A1L3MBTL1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101626-B2 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed
EP-2253311-A2 Use of GPR119 receptor agonists for increasing bone mass and for treating osteoporosis, as well as combination therapy relating thereto Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-7816364-B2 GRP119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto ARENA PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto ARENA PHARMACEUTICALS, INC. 2009-10-29 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-20100190750-A1 GPR119 Receptor Agonists in Methods of Increasing Bone Mass and of Treating Osteoporosis and Other Conditions Characterized by Low Bone Mass, and Combination Therapy Relating Thereto GPR119, GLP1R, GPR4 CYP1A2 2735/4885MEN1 3427/4885KMT2A 1570/4885
US-20090270422-A1 GPR119 receptor agonists in methods of increasing bone mass and of treating osteoporosis and other conditions characterized by low bone mass, and combination therapy relating thereto GPR119, GLP1R, GPR4 CYP1A2 2735/4885MEN1 3427/4885KMT2A 1570/4885

“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.