SCHEMBL7005428

SCHEMBL7005428

CONCC(=O)c1cc(C)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALOX15 P16050 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NOS2 P35228 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CFTR P13569 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 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
SCHEMBL8323160 0.81 MAPT (0.44) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL5507340 0.77 MAPT (0.49) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL9040295 0.76 MAPT (0.51) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL1129416 0.76 ALDH1A1 (0.64) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL8397350 0.75 RAB9A (0.53) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL7005426 0.74 MAPT (0.46) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL9559780 0.73 MAPT (0.49) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL7005423 0.72 ALDH1A1 (0.46) MAPTMAPK1NPC1HTTALDH1A1
SCHEMBL8323157 0.71 HPGD (0.56) MAPK1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8323164 0.71 MAPT (0.43) MAPTMAPK1NPC1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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 2786/4885MAPK1 1702/4885NPC1 1594/4885

“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.