SCHEMBL5659567

SCHEMBL5659567

O=C1C(=O)N(Cc2ccccc2Cl)c2ccc(Br)cc21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
ALDH3A1 P30838 7/20 0.71
ALDH2 P05091 5/20 0.71
ACHE P22303 3/20 0.66
CHRM5 P08912 4/20 0.63
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
CUL4A Q13619 1/20 0.52
CES1 P23141 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL9904848 0.86 ALDH3A1 (0.72) ALDH1A1ALDH3A1ALDH2CHRM5CES1
SCHEMBL5659656 0.84 ACHE (0.66) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL5657440 0.84 ALDH1A1 (0.67) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL15094362 0.84 CHRM5 (0.66) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL5659265 0.83 ALDH1A1 (1.00) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL4609842 0.83 CES1 (0.66) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL18954751 0.82 ALDH1A1 (0.67) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL18954802 0.81 CHRM5 (0.60) ALDH1A1ALDH3A1ALDH2ACHECHRM5
SCHEMBL14740713 0.81 CHRM5 (0.73) ALDH1A1ALDH3A1ALDH2CHRM5CA12
SCHEMBL28053294 0.80 ACHE (1.00) ALDH1A1ALDH3A1ALDH2ACHECHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
CN-105237521-B A kind of cumarin-isatin type compound and its preparation method and purposes 诸暨市志缇生物科技有限公司 2018-08-24 CN disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
CN-105237521-A Coumarin-isatin type compounds, and preparation method and purpose thereof UNIV JISHOU 2016-01-13 CN disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2005-03-10 US disclosed
EP-1487792-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-22 EP disclosed
WO-2003078394-A1 DIHYDROINDOL-2-ONE DERIVATIVES AS STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-25 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 (5 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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH2 1751/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH2 1751/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH2 1751/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH1A1 2506/4885ALDH3A1 1858/4885ALDH2 1751/4885
US-20050054712-A1 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators NR3C2, NR5A1, NR5A2 ALDH1A1 723/4885ALDH3A1 820/4885ALDH2 856/4885

“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.