SCHEMBL3370261

SCHEMBL3370261

COc1ccc(-c2nc(CCl)cs2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.97
ALDH1A1 P00352 7/20 0.97
TDP1 Q9NUW8 4/20 0.97
RAB9A P51151 3/20 0.97
MAPT P10636 7/20 0.71
NPC1 O15118 2/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
LMNA P02545 2/20 0.68
GFER P55789 2/20 0.66
HPGD P15428 2/20 0.65
POLB P06746 2/20 0.65
GAA P10253 1/20 0.65
ATM Q13315 1/20 0.54
TP53 P04637 1/20 0.52
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ABCB1 P08183 1/20 0.51
ABCC1 P33527 1/20 0.51

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
SCHEMBL14060945 0.88 KDM4E (0.76) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL3373976 0.84 KDM4E (0.72) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL202826 0.84 KDM4E (0.70) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL201951 0.84 KDM4E (0.70) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL201539 0.81 GFER (0.72) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL2072430 0.81 KDM4E (0.67) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL3071916 0.81 KDM4E (0.72) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL2705784 0.80 KDM4E (0.65) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL6194691 0.80 KDM4E (0.97) KDM4EALDH1A1TDP1RAB9AMAPT
SCHEMBL31051065 0.80 RAB9A (0.97) KDM4EALDH1A1TDP1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
US-7259262-B2 Arylazole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
EP-1680417-A1 1-'(E)-2-(PHENYL)ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR -THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2006-07-19 EP disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US disclosed
US-20050124670-A1 Novel arylazole derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-06-09 US disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
WO-2005040158-A1 1-′(E)-2-(PHENYL) ETHENYL-4-(ARYLALKOXY)-OXAZOLE OR - THIAZOLE COMPOUNDS AS HER-2 TYROSINE KINASES INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN - LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 WO disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 US disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 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 (5 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-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 KDM4E 493/4885ALDH1A1 536/4885TDP1 4018/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R KDM4E 2751/4885ALDH1A1 716/4885TDP1 2952/4885
US-20050124670-A1 Novel arylazole derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP3A5, CYP1A1 KDM4E 3571/4885ALDH1A1 66/4885TDP1 3678/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR KDM4E 3260/4885ALDH1A1 274/4885TDP1 1466/4885
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus INSR, GPR119, SLC5A1 KDM4E 1358/4885ALDH1A1 648/4885TDP1 3476/4885

“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.