SCHEMBL18580315

SCHEMBL18580315

CN(C)C(=O)COc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 4/20 0.53
CYP1A2 P05177 3/20 0.53
HPGD P15428 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
ALOX15 P16050 1/20 0.53
NFKB1 P19838 1/20 0.53
HIF1A Q16665 1/20 0.53
GMNN O75496 1/20 0.53
APEX1 P27695 1/20 0.53
PMP22 Q01453 1/20 0.53
HTT P42858 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
GLA P06280 1/20 0.42

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
SCHEMBL18580709 0.93 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18580484 0.90 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL9410481 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18579883 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18580631 0.85 CYP1A2 (0.54) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18580142 0.85 CYP1A2 (0.54) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18580514 0.84 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL21471161 0.83 HTT (0.58) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18580214 0.83 CYP1A2 (0.52) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD
SCHEMBL18580438 0.82 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTCYP1A2HPGD

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
US-11083717-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-08-10 US disclosed
US-11083717-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2021-08-10 US disclosed
EP-3659597-A2 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2020-06-03 EP disclosed
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM 2020-05-07 US disclosed
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM 2020-05-07 US disclosed
US-10543200-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2020-01-28 US disclosed
US-10543200-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2020-01-28 US disclosed
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2019-10-17 US disclosed
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2019-10-17 US disclosed
US-10300071-B2 Compositions and methods for inhibition of mycobacteria THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-05-28 US disclosed
US-10300071-B2 Compositions and methods for inhibition of mycobacteria THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-05-28 US disclosed
US-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM 2018-08-30 US disclosed
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2017-03-09 US disclosed
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2017-03-09 US disclosed
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA THE TEXAS A&M UNIVERSITY SYSTEM 2017-03-09 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 (7 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-10300071-B2 Compositions and methods for inhibition of mycobacteria ME3, PGLS, GNPAT ALDH1A1 1676/4885SMN1; SMN2 4812/4885MAPT 2084/4885
US-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, CYP3A43 ALDH1A1 886/4885SMN1; SMN2 4303/4885MAPT 3726/4885
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT ALDH1A1 1676/4885SMN1; SMN2 4812/4885MAPT 2084/4885
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885SMN1; SMN2 4367/4885MAPT 3785/4885
US-10543200-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885SMN1; SMN2 4367/4885MAPT 3785/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885SMN1; SMN2 4367/4885MAPT 3785/4885
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT ALDH1A1 1676/4885SMN1; SMN2 4812/4885MAPT 2084/4885

“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.