SCHEMBL70639

SCHEMBL70639

O=C(O)c1ccc(N2CCCC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
HPGD P15428 7/20 0.69
CYP1A2 P05177 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C19 P33261 1/20 0.66
NPC1 O15118 5/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA9 Q16790 1/20 0.59
IP6K1 Q92551 1/20 0.56
IP6K3 Q96PC2 1/20 0.56
IP6K2 Q9UHH9 1/20 0.56

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
SCHEMBL322211 0.96 ALDH1A1 (0.93) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL505844 0.95 ALDH1A1 (0.90) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL10422229 0.86 ALDH1A1 (0.76) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL11142367 0.86 ALDH1A1 (0.74) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL457785 0.86 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL12359037 0.86 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL4418893 0.86 ALDH1A1 (0.75) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL25195117 0.84 ALDH1A1 (0.71) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL25191350 0.84 ALDH1A1 (0.71) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL25062232 0.83 ALDH1A1 (0.71) ALDH1A1HPGDCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-12-20 US disclosed
EP-3319961-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-05-16 EP disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
WO-2017006296-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-12 WO disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-8791103-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 WO disclosed
US-6509359-B1 Use as a neuramninidase inhibitor in virus BIOCRYST PHARMACEUTICALS, INC. 2003-01-21 US disclosed
US-6242500-B1 Intercalates and exfoliates formed with long chain (C6+) or aromatic matrix polymer-compatible monomeric, oligomeric or polymeric intercalant compounds, and composite materials containing same AMCOL INTERNATIONAL CORPORATION 2001-06-05 US disclosed
US-6124365-A USEFUL AS PLASTICIZERS AND FOR PROVIDING INCREASED VISCOSITY AND ELASTICITY TO THERMOPLASTIC AND THERMOSETTING POLYMERS, E.G., FOR PLASTICIZING POLYVINYL CHLORIDE; FOR FOOD WRAP HAVING IMPROVED GAS IMPERMEABILITY AMCOL INTERNATIOANL CORPORATION (US) 2000-09-26 US disclosed
WO-1999014191-A1 PYRROLIDIN-2-ONE COMPOUNDS AND THEIR USE AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1999-03-25 WO disclosed
EP-0846662-A2 Intercalates and exfoliates, their process of manufacture and composites containing them AMCOL INTERNATIONAL CORPORATION (US) 1998-06-10 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 (4 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT ALDH1A1 1044/4885HPGD 268/4885CYP1A2 521/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 ALDH1A1 3153/4885HPGD 1471/4885CYP1A2 3017/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI ALDH1A1 366/4885HPGD 187/4885CYP1A2 121/4885
US-20180362485-A1 N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP l, TLL1 AND/OR TLL2 INHIBITORS BMP1, BMP2, BMPR1A ALDH1A1 1485/4885HPGD 1125/4885CYP1A2 4145/4885

“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.