SCHEMBL18580643

SCHEMBL18580643

O=C(O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 3/20 0.54
MAPT P10636 3/20 0.54
CYP3A4 P08684 2/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
NFKB1 P19838 1/20 0.54
HIF1A Q16665 1/20 0.54
GMNN O75496 1/20 0.54
APEX1 P27695 1/20 0.54
PMP22 Q01453 1/20 0.54
HTT P42858 7/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
GLA P06280 1/20 0.45

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
SCHEMBL18580611 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL18579883 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL8299472 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL18580526 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL17302643 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL29652002 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL28766780 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL27259682 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL9410481 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4
SCHEMBL28766801 0.81 HTT (0.50) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP3A4

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 4812/4885CYP1A2 706/4885
US-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, CYP3A43 ALDH1A1 886/4885SMN1; SMN2 4303/4885CYP1A2 54/4885
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT ALDH1A1 1676/4885SMN1; SMN2 4812/4885CYP1A2 706/4885
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885SMN1; SMN2 4367/4885CYP1A2 90/4885
US-10543200-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885SMN1; SMN2 4367/4885CYP1A2 90/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 ALDH1A1 839/4885SMN1; SMN2 4367/4885CYP1A2 90/4885
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT ALDH1A1 1676/4885SMN1; SMN2 4812/4885CYP1A2 706/4885

“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.