SCHEMBL5049965

SCHEMBL5049965

CC(C)(C)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CNR1 P21554 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
GCGR P47871 1/20 0.46
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
XDH P47989 1/20 0.44
CYP19A1 P11511 1/20 0.43
MAPK1 P28482 1/20 0.42
HIF1A Q16665 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
SCHEMBL197202 0.92 MEN1 (0.62) KIF11POLBMEN1KMT2ANPC1
SCHEMBL2974451 0.89 POLB (0.59) KIF11POLBMEN1KMT2ANPC1
SCHEMBL3423876 0.86 KIF11 (0.70) KIF11KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL26915 0.86 KIF11 (0.70) KIF11KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL23624571 0.84 NPC1 (0.60) KIF11POLBMEN1KMT2ANPC1
SCHEMBL30122815 0.84 PTGS2 (0.52) KIF11POLBMEN1KMT2ANPC1
SCHEMBL14666772 0.83 CNR1 (0.51) KIF11POLBNPC1RAB9ACNR1
SCHEMBL22870844 0.83 RXRB (0.55) KIF11POLBMEN1KMT2ACNR1
Lithium SCHEMBL29536927 0.83 KIF11 (0.67) KIF11KMT2ANPC1RAB9ASMN1; SMN2
Lithium SCHEMBL30081449 0.83 KIF11 (0.67) KIF11KMT2ANPC1RAB9ASMN1; 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2023-08-29 US disclosed
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2023-08-29 US disclosed
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-11744145-B2 Organic compound and organic electroluminescent device comprising the same LG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-20230159591-A1 ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 US disclosed
CN-111146349-B Organic compound and organic electroluminescent device comprising the same 乐金显示有限公司 2022-12-23 CN disclosed
US-20210009533-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis PURDUE RESEARCH FOUNDATION (US) 2021-01-14 US disclosed
US-10800745-B2 Methods for 1,4-diazo n-heterocycle synthesis PURDUE RESEARCH FOUNDATION (US) 2020-10-13 US disclosed
US-20200144506-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME MATERIAL SCIENCE CO., LTD. (KR) 2020-05-07 US disclosed
US-8569522-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2013-10-29 US disclosed
US-20130217619-A1 LINEAR PEPTIDE ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2013-08-22 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7453000-B2 Substituted oxazolobenzoisothiazole dioxide derivatives method for production and use thereof SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-18 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed
US-20070149511-A1 SUBSTITUTED OXAZOLOBENZOISOTHIAZOLE DIOXIDE DERIVATIVES METHOD FOR PRODUCTION AND USE THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 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 (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-10800745-B2 Methods for 1,4-diazo n-heterocycle synthesis AOC1, NDC1, DDO KIF11 3927/4885POLB 2089/4885MEN1 128/4885
US-20070149511-A1 SUBSTITUTED OXAZOLOBENZOISOTHIAZOLE DIOXIDE DERIVATIVES METHOD FOR PRODUCTION AND USE THEREOF SLC5A2, SLC5A1, NOX4 KIF11 3888/4885POLB 2895/4885MEN1 3697/4885
US-20230159591-A1 ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR ERG28, CYP51A1, WEE1 KIF11 1010/4885POLB 3610/4885MEN1 47/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 KIF11 4603/4885POLB 2190/4885MEN1 4040/4885
US-11739062-B2 Methods for 1,4-diazo N-heterocycle synthesis AOC1, NDC1, DDO KIF11 3927/4885POLB 2089/4885MEN1 128/4885
US-20130217619-A1 LINEAR PEPTIDE ANTIBIOTICS SPAST, PEPD, NPEPPS KIF11 2982/4885POLB 2435/4885MEN1 3672/4885
US-20210009533-A1 New Methods for 1,4-Diazo N-Heterocycle Synthesis NDC1, DDO, AOC1 KIF11 3904/4885POLB 2333/4885MEN1 261/4885

“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.