SCHEMBL6989488

SCHEMBL6989488

COCNC(=O)c1c(F)cccc1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
PTPN1 P18031 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
KCNN4 O15554 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5315745 0.80 RAB9A (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL6989497 0.78 ALDH1A1 (0.35) RAB9ANPC1PTPN1SMN1; SMN2KMT2A
SCHEMBL6989492 0.78 CES2 (0.37) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6993867 0.75 CES1 (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL6989227 0.73 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KMT2ACES2
SCHEMBL3136322 0.66 HPGD (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL6989031 0.65 NFE2L2 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL8317991 0.65 KCNN4 (0.37) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2204173 0.65 NPC1 (0.57) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL11350660 0.64 HPGD (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 9 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
EP-0929533-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 BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-09-03 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 RAB9A 4185/4885NPC1 1594/4885PTPN1 3093/4885

“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.