SCHEMBL3749110

SCHEMBL3749110

Cc1ccc(OBOc2ccc(C)cc2Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
MAPT P10636 7/20 0.45
L3MBTL1 Q9Y468 7/20 0.45
RAB9A P51151 4/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 4/20 0.44
MAPK1 P28482 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 2/20 0.41
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4474308 0.87 MAPT (0.49) ACHEMAPTL3MBTL1RAB9AATM
SCHEMBL19760441 0.83 MAPT (0.46) ACHEMAPTL3MBTL1RAB9AATM
SCHEMBL11421548 0.79 ACHE (0.52) ACHEMAPTL3MBTL1RAB9AATM
SCHEMBL188251 0.78 ACHE (0.71) ACHEMAPTL3MBTL1RAB9AHPGD
SCHEMBL12004107 0.78 KMT2A (0.41) MAPTL3MBTL1RAB9AHPGDMAPK1
SCHEMBL9463 0.77 ACHE (0.70) ACHEMAPTL3MBTL1RAB9AATM
SCHEMBL41991 0.77 TTR (0.50) MAPTL3MBTL1HPGDCYP3A4TDP1
SCHEMBL594053 0.77 ACHE (0.44) ACHEHPGDCYP2C9KMT2AALDH1A1
SCHEMBL2070649 0.77 ACHE (0.44) ACHEMAPTL3MBTL1RAB9AHPGD
SCHEMBL10664481 0.76 ACHE (0.48) ACHEMAPTL3MBTL1RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
WO-2008059368-A2 FUSED 2-AMINO PYRIMIDINE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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 (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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 ACHE 3695/4885MAPT 1599/4885L3MBTL1 2021/4885
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ACHE 3412/4885MAPT 1507/4885L3MBTL1 661/4885
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 ACHE 1203/4885MAPT 1163/4885L3MBTL1 3548/4885

“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.