SCHEMBL4887665

SCHEMBL4887665

Cc1oc(-c2ccccc2Br)nc1CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 2/20 0.41
C1R P00736 1/20 0.41
MAPT P10636 7/20 0.41
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 5/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
PPARA Q07869 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL5014287 0.84 KDM4E (0.52) RAB9ANPC1KDM4EPPARAHRH3
SCHEMBL5015708 0.82 POLB (0.52) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL5226577 0.79 C1R (0.45) KDM4EC1RMAPTALDH1A1SMN1; SMN2
SCHEMBL979145 0.78 KDM4E (0.65) RAB9ANPC1KDM4EPPARAHRH3
SCHEMBL4891207 0.76 NPC1 (0.41) RAB9ANPC1KMT2AMAPTSMN1; SMN2
SCHEMBL4888378 0.76 RAB9A (0.62) RAB9ANPC1KDM4EPPARAHRH3
SCHEMBL1981068 0.76 PPARG (0.54) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3530493 0.74 RAB9A (0.53) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4888438 0.74 PPARG (0.57) RAB9ANPC1KDM4EKMT2AMAPT
SCHEMBL4452613 0.74 NPC1 (0.47) RAB9ANPC1KDM4EMAPTTP53

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 12 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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 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
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 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
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
CN-1578659-A Modulators of peroxisome proliferator activated receptors (ppar) LILLY CO ELI (US) 2005-02-09 CN 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 3500/4885NPC1 469/4885KDM4E 4175/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD RAB9A 3500/4885NPC1 469/4885KDM4E 4175/4885
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 3721/4885NPC1 519/4885KDM4E 4016/4885

“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.