SCHEMBL9904848

SCHEMBL9904848

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH3A1 P30838 7/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ ALDH2 P05091 4/20 0.72
▸ CHRM5 P08912 2/20 0.66
▸ CA12 O43570 1/20 0.62
▸ CA1 P00915 1/20 0.62
▸ CA2 P00918 1/20 0.62
▸ CA9 Q16790 1/20 0.62
▸ CES1 P23141 2/20 0.55
▸ CES2 O00748 1/20 0.55
▸ BCHE P06276 1/20 0.55

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
SCHEMBL5659656 0.86 ACHE (0.66) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL5659567 0.86 ALDH1A1 (0.71) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL4609842 0.85 CES1 (0.66) ALDH3A1ALDH1A1ALDH2CHRM5CES1
SCHEMBL18954793 0.84 ALDH3A1 (0.69) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL16798714 0.84 ALDH3A1 (1.00) ALDH3A1ALDH1A1ALDH2CA12CA1
SCHEMBL30774282 0.83 CES1 (0.67) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL18974316 0.83 CES1 (0.67) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL18954802 0.83 CHRM5 (0.60) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL14740713 0.83 CHRM5 (0.73) ALDH3A1ALDH1A1ALDH2CHRM5CA12
SCHEMBL18954800 0.82 CHRM5 (0.58) ALDH3A1ALDH1A1ALDH2CHRM5CA12

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 11 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
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 — — US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 — — US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 — — US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 — — US disclosed
EP-2750508-A1 THERAPEUTIC COMPOUNDS AND METHODS Wayne State University (US) 2014-07-09 — — EP disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 — — US disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 — — WO disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 — — 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 ALDH3A1 1858/4885ALDH1A1 2506/4885ALDH2 1751/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH3A1 1858/4885ALDH1A1 2506/4885ALDH2 1751/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 ALDH3A1 1858/4885ALDH1A1 2506/4885ALDH2 1751/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 ALDH3A1 1858/4885ALDH1A1 2506/4885ALDH2 1751/4885
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 ALDH3A1 1412/4885ALDH1A1 196/4885ALDH2 1583/4885

“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.

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