SCHEMBL3258140

SCHEMBL3258140

COC(=O)c1cc2cccc(N)c2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 5/20 0.54
CHRNA7 P36544 3/20 0.48
HSD17B10 Q99714 3/20 0.45
CFTR P13569 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
MAPT P10636 6/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3252698 0.83 BCL2L1 (0.53) ALDH1A1HPGDCHRNA7HDAC1HDAC3
SCHEMBL2895989 0.83 ALDH1A1 (0.55) ALDH1A1HPGDCHRNA7HSD17B10HDAC1
SCHEMBL15384380 0.83 HPGD (0.55) ALDH1A1HPGDCHRNA7HSD17B10HDAC1
SCHEMBL5125588 0.83 HPGD (0.55) ALDH1A1HPGDCHRNA7HSD17B10HDAC1
SCHEMBL25094033 0.81 HDAC1 (0.56) ALDH1A1HPGDCHRNA7HDAC1HDAC3
SCHEMBL2889381 0.81 ALDH1A1 (0.54) ALDH1A1HPGDCHRNA7HDAC1HDAC3
SCHEMBL6331448 0.81 HPGD (0.54) ALDH1A1HPGDCHRNA7HSD17B10HDAC1
SCHEMBL2897562 0.81 HDAC3 (0.68) ALDH1A1HPGDCHRNA7HDAC1HDAC3
SCHEMBL1091054 0.81 HPGD (0.54) ALDH1A1HPGDCHRNA7HDAC1HDAC3
SCHEMBL17858439 0.80 HPGD (0.52) ALDH1A1HPGDCHRNA7HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-02-20 US disclosed
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-02-20 US disclosed
WO-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
WO-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
WO-2020036812-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 WO disclosed
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 EP disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
EP-1497278-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-01-19 EP disclosed
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087085-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-23 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 (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-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA ALDH1A1 72/4885HPGD 1372/4885CHRNA7 2800/4885
US-20030225053-A1 Compounds useful in treating cytokine mediated diseases IL6, IL1A, IL1B ALDH1A1 336/4885HPGD 326/4885CHRNA7 3895/4885

“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.