SCHEMBL4355153

SCHEMBL4355153

Cc1oc(-c2ccc(C(C)C)cc2)nc1CCl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 2/20 0.42
NOTUM Q6P988 2/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARD Q03181 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TARBP2 Q15633 1/20 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
SCHEMBL924162 0.85 HSD17B10 (0.54) KDM4EHSD17B10PPARAALDH1A1TP53
SCHEMBL1051790 0.84 NOTUM (0.45) KDM4ERAB9ANPC1HSD17B10NOTUM
SCHEMBL4926751 0.84 PPARG (0.42) KDM4ERAB9ANPC1HSD17B10NOTUM
SCHEMBL2330165 0.83 TP53 (0.49) KDM4ERAB9ANPC1HSD17B10MEN1
SCHEMBL6293022 0.82 RAB9A (0.50) KDM4ERAB9ANPC1HSD17B10PPARG
SCHEMBL1931219 0.81 ALDH1A1 (0.51) KDM4ERAB9ANPC1HSD17B10PPARG
SCHEMBL5023940 0.81 TARBP2 (0.50) KDM4ERAB9ANPC1HSD17B10PPARG
SCHEMBL4414326 0.81 POLB (0.50) KDM4ERAB9ANPC1HSD17B10NOTUM
SCHEMBL503999 0.80 KDM4E (0.64) KDM4ERAB9ANPC1PPARGPPARA
SCHEMBL25307839 0.79 KDM4E (0.44) KDM4ERAB9ANPC1HSD17B10PPARG

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100577660-C N-substituted-1H-indol-5-propionic acid compounds as PPAR agonists used for the treatment of diabetes HOFFMANN LA ROCHE 2010-01-06 CN disclosed
US-7629353-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMAN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 EP disclosed
CN-100415727-C Chirale oxazole-arylpropionic acid derivatives and their use as PPAR agonists HOFFMANN LA ROCHE (CH) 2008-09-03 CN disclosed
EP-1567523-B1 INDOLYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-20 EP disclosed
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004048371-A1 INDOLYL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed
US-20040106657-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-06-03 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004024726-A1 N-SUBSTITUTED-1H-INDOL-5-PROPIONIC ACID COMPOUNDS AS PPAR AGONISTS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2004-03-25 WO disclosed
US-20040053979-A1 Indolyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-03-18 US disclosed
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 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-20040106657-A1 Indolyl derivatives GPR119, IRS1, INSR KDM4E 1295/4885RAB9A 1260/4885NPC1 431/4885
US-20040053979-A1 Indolyl derivatives UGT1A8, CYP2C8, UGT1A1 KDM4E 2287/4885RAB9A 173/4885NPC1 225/4885
US-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG KDM4E 2767/4885RAB9A 4342/4885NPC1 2452/4885

“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.