SCHEMBL2657045

SCHEMBL2657045

O=C(O)c1cnccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.56
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.52
CTNNB1 P35222 1/20 0.50
TSPO P30536 3/20 0.48
OPRK1 P41145 2/20 0.48
PTGS1 P23219 4/20 0.47
PTGS2 P35354 3/20 0.47
TSHR P16473 1/20 0.46
ALB P02768 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KDM4D Q6B0I6 1/20 0.44

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
SCHEMBL742273 0.87 CTNNB1 (0.65) KDM4CALDH1A1MAPK1HSD17B10GPBAR1
SCHEMBL238351 0.86 KDM4C (0.59) KDM4CALDH1A1MAPK1HSD17B10CTNNB1
SCHEMBL10237798 0.85 GPBAR1 (0.51) KDM4CALDH1A1MAPK1HSD17B10GPBAR1
SCHEMBL874453 0.85 PTGS1 (0.48) KDM4CALDH1A1MAPK1HSD17B10GPBAR1
SCHEMBL4042446 0.84 TDP1 (0.55) KDM4CALDH1A1MAPK1HSD17B10GPBAR1
SCHEMBL851190 0.82 CA12 (0.58) KDM4CMAPK1GPBAR1MEN1KMT2A
SCHEMBL4939073 0.82 ALDH1A1 (0.71) ALDH1A1MAPK1HSD17B10TSHRMEN1
SCHEMBL2506700 0.81 CYP1A2 (0.52) KDM4CALDH1A1MAPK1HSD17B10GPBAR1
SCHEMBL7995846 0.79 ALDH1A1 (0.45) KDM4CALDH1A1MAPK1HSD17B10GPBAR1
SCHEMBL20243459 0.78 TDP1 (0.48) KDM4CALDH1A1TSHRKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN claimed
CN-104066737-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN claimed
CN-104066737-A As P2X7Heterocyclic amide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN claimed
CN-117510338-A Natural naphthoquinone derivative and preparation method and application thereof 贵州大学 2024-02-06 CN disclosed
US-20200360355-A1 ENHANCERS OF NOTCH SIGNALING AND THEIR USE THEREOF IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH Xeniopro GmbH (DE) 2020-11-19 US disclosed
US-10772876-B2 Enhancers of Notch signaling and the use thereof in the treatment of cancers and malignancies medicable by upregulation of Notch Xeniopro GmbH (DE) 2020-09-15 US disclosed
US-20190083476-A1 ENHANCERS OF NOTCH SIGNALING AND THE USE THEREOF IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH Xeniopro GmbH (DE) 2019-03-21 US disclosed
EP-3429576-A1 ENHANCERS OF NOTCH SIGNALING AND THEIR USE IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH Xeniopro GmbH (DE) 2019-01-23 EP disclosed
WO-2017158190-A1 ENHANCERS OF NOTCH SIGNALING AND THEIR USE IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2017-09-21 WO disclosed
CN-104066737-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed
CN-104066737-A As P2X7Heterocyclic amide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN disclosed
US-8034940-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-11 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
EP-1986645-A1 GLUCOKINASE ACTIVATORS Array Biopharma, Inc. (US) 2008-11-05 EP disclosed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 WO disclosed
US-5707933-A PLANT GROWTH REGULATORS AND ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-01-13 US disclosed
EP-0053011-B1 NEW HERBICIDAL NICOTINAMIDE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-04-03 EP disclosed
EP-0053011-A1 New herbicidal nicotinamide derivatives MAY & BAKER LIMITED (GB) 1982-06-02 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-10772876-B2 Enhancers of Notch signaling and the use thereof in the treatment of cancers and malignancies medicable by upregulation of Notch NOTCH1, DNER, NOTCH4 KDM4C 2499/4885ALDH1A1 4100/4885MAPK1 1030/4885
US-20200360355-A1 ENHANCERS OF NOTCH SIGNALING AND THEIR USE THEREOF IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH NOTCH1, DNER, NOTCH4 KDM4C 2437/4885ALDH1A1 4068/4885MAPK1 1119/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 KDM4C 3470/4885ALDH1A1 3409/4885MAPK1 225/4885
US-20190083476-A1 ENHANCERS OF NOTCH SIGNALING AND THE USE THEREOF IN THE TREATMENT OF CANCERS AND MALIGNANCIES MEDICABLE BY UPREGULATION OF NOTCH NOTCH1, DNER, NOTCH4 KDM4C 2499/4885ALDH1A1 4100/4885MAPK1 1030/4885

“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.