SCHEMBL444754

SCHEMBL444754

C[CH]OCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB1 P08183 1/20 0.36
CYP19A1 P11511 3/20 0.34
CYP17A1 P05093 1/20 0.34
HRH1 P35367 2/20 0.33
MGMT P16455 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL183664 0.77 LOXL2 (0.41) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL7861187 0.77 LOXL2 (0.41) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL13986255 0.77 LOXL2 (0.37) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL58206 0.76 TSHR (0.52) ALDH1A1CYP1A2CYP2C19
SCHEMBL444619 0.74 LOXL2 (0.38) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL791964 0.73
SCHEMBL353572 0.73 IDO1 (0.52) LOXL2ALDH1A1
SCHEMBL3352453 0.73 IDO1 (0.52) HRH1
SCHEMBL8743208 0.73 IDO1 (0.52) ALDH1A1
SCHEMBL6875901 0.72 ADRB2 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787576-B2 Method for the preparation of a coating comprising oligomeric alkynes ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2020-09-29 US disclosed
EP-3599239-A1 METAL ORGANIC FRAMEWORKS AND METHODS FOR USING THEREOF Ecole Polytechnique Federale De Lausanne (EPFL) EPFL-TTO (CH) 2020-01-29 EP disclosed
US-20190048202-A1 METHOD FOR THE PREPARATION OF A COATING COMPRISING OLIGOMERIC ALKYNES ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2019-02-14 US disclosed
US-20180171152-A1 METHOD FOR THE PREPARATION OF A COATING ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2018-06-21 US disclosed
EP-3303482-A1 METHOD FOR THE PREPARATION OF A COATING Ecole Polytechnique Fédérale de Lausanne (EPFL) EPFL-TTO (CH) 2018-04-11 EP disclosed
WO-2016189047-A1 METHOD FOR THE PREPARATION OF A COATING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-12-01 WO disclosed
WO-2016174266-A2 METHOD FOR THE PREPARATION OF A COATING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) EPFL-TTO (CH) 2016-11-03 WO disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
EP-1958956-B1 Peptidomimetic protease inhibitors VERTEX PHARMA (US) 2013-12-11 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
EP-0960096-A1 SUBSTITUTED $g(b)-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-12-01 EP disclosed
WO-1999038844-A1 METHOD FOR PREPARING AN N-[(ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-08-05 WO disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
WO-1999031491-A1 METHOD AND REAGENTS FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-06-24 WO disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1998032734-A1 SUBSTITUTED β-THIOCARBOXYLIC ACIDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-30 WO disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 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 (1 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD LOXL2 3777/4885HSD17B10 2139/4885ALDH1A1 2218/4885

“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.