SCHEMBL2807447

SCHEMBL2807447

NCc1ccc(-c2ccccc2)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.65
BACE1 P56817 4/20 0.56
ALOX5 P09917 1/20 0.55
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DPP4 P27487 1/20 0.45
ENPP2 Q13822 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
HDAC1 Q13547 1/20 0.43
IDH1 O75874 1/20 0.42
FOLH1 Q04609 1/20 0.42
EGFR P00533 1/20 0.42
ABAT P80404 1/20 0.41
ESR2 Q92731 1/20 0.41
TTR P02766 1/20 0.41

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
SCHEMBL16429239 0.86 BACE1 (0.74) CSNK2A1BACE1ALOX5TAAR1ALDH1A1
SCHEMBL27508195 0.83 CSNK2A1 (0.69) CSNK2A1BACE1ALOX5TAAR1DPP4
SCHEMBL14832184 0.83 ALOX5 (0.59) CSNK2A1BACE1ALOX5ALDH1A1HPGD
SCHEMBL3565878 0.81 LOXL2 (0.48) CSNK2A1BACE1TAAR1ALDH1A1HSD17B10
SCHEMBL3564546 0.81 LOXL2 (0.54) CSNK2A1BACE1TAAR1LOXL2ABAT
SCHEMBL3571285 0.80 CYP2A6 (0.62) CSNK2A1ALDH1A1LOXL2
SCHEMBL11368554 0.80 ALOX5 (0.55) CSNK2A1BACE1ALOX5ALDH1A1HPGD
SCHEMBL9249815 0.80 IDH1 (0.68) BACE1ALOX5ALDH1A1HPGDBCL2L1
SCHEMBL27292714 0.80 ALOX5 (0.55) CSNK2A1BACE1ALOX5ALDH1A1HPGD
SCHEMBL3783312 0.80 CSNK2A1 (0.65) CSNK2A1BACE1TAAR1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659016-A Cyclin modulators 嘉兴优博生物技术有限公司 2024-03-08 CN disclosed
WO-2024041661-A1 CYCLIN MODULATOR 嘉兴优博生物技术有限公司 2024-02-29 WO disclosed
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 US disclosed
EP-2760866-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS Genfit (FR) 2014-08-06 EP disclosed
WO-2013045519-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2013-04-04 WO disclosed
EP-1698635-B1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF KISSEI PHARMACEUTICAL (JP) 2011-12-14 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7547680-B2 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICALS, CO., LTD. (JP) 2009-06-16 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO disclosed
EP-1698635-A1 BENZIMIDAZOLE DERIVATIVES AND MEDICAL USES THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2006-09-06 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 (7 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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 CSNK2A1 3651/4885BACE1 2870/4885ALOX5 1811/4885
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 CSNK2A1 4228/4885BACE1 3905/4885ALOX5 1789/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP CSNK2A1 3567/4885BACE1 3062/4885ALOX5 1841/4885
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 CSNK2A1 1124/4885BACE1 3366/4885ALOX5 2455/4885
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 CSNK2A1 255/4885BACE1 2625/4885ALOX5 1942/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 CSNK2A1 255/4885BACE1 2625/4885ALOX5 1942/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 CSNK2A1 255/4885BACE1 2625/4885ALOX5 1942/4885

“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.