SCHEMBL6986948

SCHEMBL6986948

COc1cc(Cl)cc(C(=O)C(F)(F)F)c1N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.39
TMPRSS4 Q9NRS4 2/20 0.38
ERN1 O75460 1/20 0.37
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KCNMA1 Q12791 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL6988881 0.80 ALOX5AP (0.31) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL8208504 0.80 KDM4E (0.45) KDM4EGAAERN1RORCRORB
SCHEMBL953480 0.80 KDM4E (0.56) KDM4EGAAERN1ALDH1A1HPGD
SCHEMBL1515035 0.79 KDM4E (0.58) KDM4EGAAALDH1A1KCNMA1POLB
SCHEMBL24346269 0.78 ALDH1A1 (0.49) KDM4EGAAALDH1A1HDAC6POLB
SCHEMBL12804469 0.78 LMNA (0.55) GAAALDH1A1KCNMA1HDAC6POLB
SCHEMBL6991528 0.77 CYP3A4 (0.38) KDM4EGAATMPRSS4ALDH1A1HDAC6
SCHEMBL6990264 0.77 CYP3A4 (0.38) KDM4EGAATMPRSS4ALDH1A1MAPT
SCHEMBL8709585 0.73 GAA (0.48) KDM4EGAAERN1ALDH1A1POLB
SCHEMBL6591408 0.72 ALDH1A1 (0.63) KDM4EGAAALDH1A1KCNMA1POLB

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 7 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
US-5874430-A COMPOUNDS AS PROTEASE, REVERSE TRANSCRIPTASE INHIBITORS FOR DIAGNOSIS DUPONT PHARMACEUTICALS COMPANY (US) 1999-02-23 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 (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 KDM4E 765/4885GAA 510/4885TMPRSS4 61/4885

“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.