SCHEMBL3968044

SCHEMBL3968044

ClCc1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.72
MAPT P10636 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.54
GFER P55789 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 1/20 0.49
CXCR1 P25024 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
DRD2 P14416 1/20 0.47

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
SCHEMBL5442956 0.84 NOTUM (1.00) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL4060532 0.84 NOTUM (0.70) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL2427499 0.84 NOTUM (0.51) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL14541437 0.84 NOTUM (0.70) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL29241069 0.84 NOTUM (0.51) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL1963850 0.84 NOTUM (0.51) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL1437486 0.83 NOTUM (0.68) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL3479473 0.82 MAPT (0.61) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL31434746 0.81 NOTUM (0.49) NOTUMMAPTTDP1L3MBTL1HPGD
SCHEMBL27572904 0.81 NOTUM (0.66) NOTUMMAPTTDP1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-RE39916-E1 Compounds that modulate PPAR activity and methods for their preparation WARNER LAMBERT COMPANY (US) 2007-11-06 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6964983-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY, LLC (US) 2005-11-15 US disclosed
US-6939875-B2 Carbocyclic oxy sulfides such as [4-(Biphenyl-4-ylmethylsulfanyl)-5-methoxy-2-methyl-phenoxy]-acetic acid, used to control peroxisome proliferator activated receptors (PPAR), for prophylaxis of metabolic disorders WARNER-LAMBERT COMPANY (US) 2005-09-06 US disclosed
CN-1649820-A Compounds that modulate PPAR activity and methods for preparing the same WARNER LAMBERT CO (US) 2005-08-03 CN disclosed
CN-1589270-A Indole-2-formamide compounds as factor Xa inhibitors AVENTIS PHARMA GMBH (DE) 2005-03-02 CN disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1494989-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2005-01-12 EP disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003084916-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS FOR THEIR PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2003-10-16 WO disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (6 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 NOTUM 1327/4885MAPT 4690/4885TDP1 1081/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD NOTUM 534/4885MAPT 4652/4885TDP1 3393/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG NOTUM 1370/4885MAPT 4792/4885TDP1 3973/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 NOTUM 1218/4885MAPT 4711/4885TDP1 1138/4885
US-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA NOTUM 2840/4885MAPT 4429/4885TDP1 4483/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 NOTUM 1484/4885MAPT 4666/4885TDP1 1113/4885

“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.