SCHEMBL4893890

SCHEMBL4893890

Cc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.47
HPGDS O60760 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MELK Q14680 1/20 0.44
TNIK Q9UKE5 1/20 0.44
LMNA P02545 1/20 0.42
STAT1 P42224 1/20 0.42
COMT P21964 1/20 0.41

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
SCHEMBL1773863 0.96 RAB9A (0.61) RAB9APOLBSMN1; SMN2HPGDSL3MBTL1
SCHEMBL28282909 0.92 RAB9A (0.57) RAB9APOLBSMN1; SMN2HPGDSL3MBTL1
Boric Acid SCHEMBL8816030 0.89 RAB9A (0.53) RAB9APOLBSMN1; SMN2HPGDSL3MBTL1
SCHEMBL14069232 0.83 SMN1; SMN2 (0.66) RAB9APOLBSMN1; SMN2ALDH1A1KDM4E
Sulfurous Acid SCHEMBL28091499 0.81 RAB9A (0.46) RAB9APOLBSMN1; SMN2HPGDSL3MBTL1
Imidazole SCHEMBL28175008 0.80 RAB9A (0.45) RAB9APOLBSMN1; SMN2HPGDSL3MBTL1
SCHEMBL8809534 0.80 CHEK1 (0.51) RAB9APOLBSMN1; SMN2NPC1MAPT
SCHEMBL3228033 0.80 MEN1 (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL13514605 0.80 SMN1; SMN2 (0.47) RAB9APOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL21346072 0.80 TNIK (0.54) SMN1; SMN2TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 WO disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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 (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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD RAB9A 3500/4885POLB 1408/4885SMN1; SMN2 4607/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD RAB9A 3500/4885POLB 1408/4885SMN1; SMN2 4607/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA RAB9A 3721/4885POLB 1442/4885SMN1; SMN2 4506/4885

“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.