SCHEMBL4877545

SCHEMBL4877545

COC(=O)c1[nH]c2cc(OC)ccc2c1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
MAPT P10636 5/20 0.67
HSD17B10 Q99714 4/20 0.67
GAA P10253 4/20 0.67
ALDH1A1 P00352 4/20 0.67
ALOX15 P16050 3/20 0.67
HPGD P15428 2/20 0.67
USP2 O75604 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TUBB4A P04350 3/20 0.61
TUBB P07437 3/20 0.61
TUBA3C P0DPH7 3/20 0.61
TUBA1B P68363 3/20 0.61
TUBA4A P68366 3/20 0.61
TUBB4B P68371 3/20 0.61
TUBB3 Q13509 3/20 0.61
TUBB2A Q13885 3/20 0.61
TUBB8 Q3ZCM7 3/20 0.61
TUBA3E Q6PEY2 3/20 0.61
TUBA1A Q71U36 3/20 0.61

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
SCHEMBL15329883 0.89 TUBB4A (0.57) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL29956530 0.87 GPR17 (0.59) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL9253578 0.87 ALOX15 (0.72) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL25207025 0.84 ALOX15 (0.57) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL29955715 0.83 ALOX15 (0.74) KDM4EHSD17B10ALDH1A1ALOX15HPGD
SCHEMBL22346720 0.83 ALOX15 (0.53) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL25206647 0.81 ALOX15 (0.51) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL1306979 0.80 ALOX15 (0.50) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL29955020 0.80 MEN1 (0.61) KDM4EMAPTHSD17B10GAAALDH1A1
SCHEMBL3036356 0.80 KDM4E (0.70) KDM4EMAPTHSD17B10GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
CN-116249531-A Compositions and methods for activating pyruvate kinase 密执安大学评议会 2023-06-09 CN disclosed
EP-4185293-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE The Regents of The University of Michigan (US) 2023-05-31 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022020424-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-27 WO disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130338158-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2013-12-19 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-8524917-B2 6-substituted indole-3-carboxylic acid amide compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 US disclosed
US-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis ALLERGAN, INC. 2008-07-17 US disclosed
US-20030139609-A1 Aziridinyl quinone antitumor agents based on indoles and cyclopent[b]indoles NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-24 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 (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-20080171772-A1 e.g. Methyl 1-Benzyl-6-methoxy-1H-indole-2-carboxylate; glaucoma, dry eye, angiogenesis, cardiovascular conditions and diseases, wound healing, platelet aggregation and thrombosis PTGIR, S1PR1, TBXA2R KDM4E 1436/4885MAPT 4739/4885HSD17B10 3950/4885
US-20030139609-A1 Aziridinyl quinone antitumor agents based on indoles and cyclopent[b]indoles DUT, CYC1, DHRS9 KDM4E 396/4885MAPT 4875/4885HSD17B10 1073/4885
US-20130338158-A1 6-SUBSTITUTED INDOLE-3-CARBOXYLIC ACID AMIDE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY S1PR1, S1PR3, S1PR2 KDM4E 3596/4885MAPT 4437/4885HSD17B10 4056/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 KDM4E 1883/4885MAPT 2067/4885HSD17B10 1119/4885

“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.