SCHEMBL2089436

SCHEMBL2089436

COCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
CYP2C19 P33261 1/20 0.64
PTGS2 P35354 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HIF1A Q16665 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MAOB P27338 5/20 0.63
BCHE P06276 1/20 0.63
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
MAOA P21397 1/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LTA4H P09960 1/20 0.58
EPHX2 P34913 1/20 0.58
APP P05067 1/20 0.57

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
SCHEMBL10609652 0.87 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.87 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.87 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL791985 0.85 MAOB (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL20067649 0.85 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL4407617 0.85 ENPP2 (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL794 0.84
SCHEMBL7595917 0.84 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL464352 0.83 RXRA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8279908 0.83 MAOB (0.61) MAOBMAPTRAB9ASMN1; SMN2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862730-B2 Imidazothiadiazole derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
EP-2426125-B1 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors JANSSEN PHARMACEUTICALS INC (US) 2015-12-02 EP disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
EP-1341766-B1 IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
CN-1633417-A Imidazolidinone derivatives for the treatment of viral diseases HOFFMANN LA ROCHE (CH) 2005-06-29 CN disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-6518293-B2 Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. HOFFMANN-LA ROCHE INC. 2003-02-11 US disclosed
US-20020107272-A1 Anti-HIV imidazolone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 US disclosed
EP-0054699-B1 METHOD FOR THE CATALYTIC HYDROGENOLYSIS OF PARA-SUBSTITUTED BENZALDEHYDE-DIMETHYL ACETALS INTO THE CORRESPONDING BENZYLMETHYL ETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1984-03-14 EP disclosed
US-4413149-A COBALT CARBONYL AND A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-01 US disclosed
EP-0054699-A2 Method for the catalytic hydrogenolysis of para-substituted benzaldehyde-dimethyl acetals into the corresponding benzylmethyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-30 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 (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-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 LMNA 1954/4885CYP1A2 1394/4885PTGS1 846/4885
US-20020107272-A1 Anti-HIV imidazolone derivatives EIF2AK2, IMPDH1, POLR2E LMNA 4065/4885CYP1A2 880/4885PTGS1 1504/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 LMNA 4594/4885CYP1A2 420/4885PTGS1 2872/4885

“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.