SCHEMBL5574239

SCHEMBL5574239

Cc1oc(-c2ccc3ccccc3c2)nc1CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KDM4E B2RXH2 2/20 0.46
NOTUM Q6P988 1/20 0.43
UTRN P46939 3/20 0.43
AHR P35869 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1051303 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL503956 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL4924238 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL4885518 0.82 ALDH1A1 (0.49) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL503999 0.82 KDM4E (0.64) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL1436140 0.80 MAPT (0.49) ALDH1A1SMN1; SMN2HPGDTSHRMEN1
SCHEMBL16072944 0.79 CYP1A2 (0.58) ALDH1A1CYP1A2SMN1; SMN2HSD17B10HPGD
SCHEMBL2330165 0.79 TP53 (0.49) ALDH1A1SMN1; SMN2HSD17B10HPGDTSHR
SCHEMBL1436230 0.79 MAPT (0.56) SMN1; SMN2HPGDTSHRKDM4EKDM1A
SCHEMBL2329392 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
EP-1599454-B1 DIARYLCYCLOALKYL DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-26 EP disclosed
EP-1599454-B1 DIARYLCYCLOALKYL DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2012-12-26 EP disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 EP disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
EP-0643050-B1 Oxazolidinedione derivatives and their use as hypoglycemic agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-04-10 EP disclosed
CN-1068326-C Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 CN disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
US-5614544-A HYPOGLYCEMIC AND HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-03-25 US disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
CN-1124246-A Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-12 CN disclosed
EP-0643050-A1 Oxazolidinedione derivatives and their use as hypoglycemic agent Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP 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 (2 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-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT ALDH1A1 371/4885CYP1A2 22/4885SMN1; SMN2 3359/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT ALDH1A1 555/4885CYP1A2 25/4885SMN1; SMN2 3302/4885

“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.