SCHEMBL1702138

SCHEMBL1702138

NC(=O)c1ccccc1Oc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.68
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
MKNK1 Q9BUB5 3/20 0.48
MKNK2 Q9HBH9 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46

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
SCHEMBL30060692 1.00 CTNNB1 (0.68) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL6689475 0.85 SMN1; SMN2 (0.51) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL29946580 0.84 CTNNB1 (0.67) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL17397069 0.82 CTNNB1 (0.74) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL29139940 0.82 KMT2A (0.64) ALDH1A1MAPK1HSD17B10SMN1; SMN2LMNA
SCHEMBL5724 0.81 CTNNB1 (1.00) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL27680126 0.81 CTNNB1 (1.00) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL28876495 0.81 CTNNB1 (1.00) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL6689471 0.81 ALDH1A1 (0.64) ALDH1A1MAPK1HSD17B10MKNK1MKNK2
SCHEMBL15501779 0.81 ALDH1A1 (0.53) CTNNB1ALDH1A1MAPK1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP claimed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO claimed
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors VALO HEALTH, INC. (US) 2024-03-05 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-9060517-B2 Nitrogenated heterocyclic compound and agricultural or horticultural fungicide NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE NIPPON SODA CO., LTD. (JP) 2014-03-13 US disclosed
EP-2632436-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-09-04 EP disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2012058392-A1 SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBOTT LABORATORIES (US) 2012-05-03 WO disclosed
WO-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
EP-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP disclosed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 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 (5 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CTNNB1 2299/4885ALDH1A1 4654/4885MAPK1 1593/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 CTNNB1 3764/4885ALDH1A1 1869/4885MAPK1 3105/4885
US-20140073792-A1 NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE CBR3, CBR1, NOX3 CTNNB1 2713/4885ALDH1A1 1986/4885MAPK1 2263/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 CTNNB1 3764/4885ALDH1A1 1869/4885MAPK1 3105/4885
US-11919839-B2 Alpha-cinnamide compounds and compositions as HDAC8 inhibitors HDAC8, HDAC7, HDAC1 CTNNB1 2507/4885ALDH1A1 455/4885MAPK1 2579/4885

“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.