SCHEMBL1340684

SCHEMBL1340684

Cc1ccc(N)c(C(=O)C(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 3/20 0.45
ALOX15 P16050 2/20 0.45
THRB P10828 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CSNK2A1 P68400 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL21676270 0.85 ALDH1A1 (0.45) MAPTNPC1MAPK1HTTTDP1
SCHEMBL7078523 0.81 CA12 (0.43) MAPTMAPK1HTTTDP1ALOX15
SCHEMBL20867559 0.81 CSNK2A1 (0.55) TDP1CSNK2A1ALDH1A1HSD17B10KMT2A
SCHEMBL4171188 0.80 MEN1 (0.50) MAPTNPC1SMN1; SMN2CSNK2A1ALDH1A1
SCHEMBL24450657 0.79 KEAP1 (0.61) MAPTTDP1THRBALDH1A1KMT2A
SCHEMBL2081024 0.79 RECQL (0.53) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL30926656 0.79 KDM4E (0.61) MAPTNPC1MAPK1HTTALOX15
SCHEMBL31366631 0.79 RECQL (0.53) TDP1ALOX15SMN1; SMN2TP53CYP3A4
SCHEMBL8323164 0.79 MAPT (0.43) MAPTNPC1MAPK1HTTTDP1
SCHEMBL11065472 0.78 CSNK2A1 (0.62) TDP1TP53CSNK2A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-8063081-B2 N-(2-Phenoxyphenyl)-N'-(thiazol-2-yl)urea; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-11-22 US disclosed
US-7897628-B2 {2-[3-(4-Methyl-2-[2-methypropoxy]phenyl)-ureido]-thiazol-4-yl}-acetic acid ethyl ester; glucokinase inhibitor; antidiabetic, hypoglycemic agent; activators of glucokinase NOVO NORDISK A/S (DK) 2011-03-01 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 US disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed
EP-1359147-A1 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and processes for making the same Bristol-Myers Squibb Pharma Company (US) 2003-11-05 EP disclosed
US-6492515-B2 FOR THERAPY OF HIV INFECTION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 US disclosed
US-20020040138-A1 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-04 US disclosed
US-6303780-B1 4,4-disubstituted-1,4-dihydro-2h-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DUPONT PHARMACEUTICALS COMPANY 2001-10-16 US disclosed
US-6140499-A 4,4-disubstituted-1,4-dihydro-2H-3,1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DUPONT PHARMACEUTICAL COMPANY (US) 2000-10-31 US disclosed
EP-0929533-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME Du Pont Pharmaceuticals Company (US) 1999-07-21 EP disclosed
US-5874430-A COMPOUNDS AS PROTEASE, REVERSE TRANSCRIPTASE INHIBITORS FOR DIAGNOSIS DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 US disclosed
WO-1998014436-A1 4,4-DISUBSTITUTED-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONES USEFUL AS HIV REVERSE TRANSCRIPTASE INHIBITORS AND INTERMEDIATES AND PROCESSES FOR MAKING THE SAME DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-09 WO 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 MAPT 2155/4885NPC1 3249/4885MAPK1 996/4885
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 MAPT 2678/4885NPC1 2201/4885MAPK1 1277/4885
US-20020040138-A1 4,4-disubstituted-1, 4-dihydro-2H-3, 1-benzoxazin-2-ones useful as HIV reverse transcriptase inhibitors and intermediates and processes for making the same DHX15, CYP4X1, DPYD MAPT 2786/4885NPC1 1594/4885MAPK1 1702/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 MAPT 2678/4885NPC1 2201/4885MAPK1 1277/4885

“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.