SCHEMBL18580701

SCHEMBL18580701

COC(=O)c1ccc(Oc2nc3ccc(Cl)cc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.49
EPHX2 P34913 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ALDH1A1 P00352 1/20 0.48
DYRK1A Q13627 1/20 0.48
FSCN1 Q16658 1/20 0.48
DCLK1 O15075 1/20 0.47
FES P07332 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL18580753 0.86 SMN1; SMN2 (0.67) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4246691 0.85 SMN1; SMN2 (0.52) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18612365 0.83 AURKB (0.48) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18580399 0.82 CSNK1D (0.53) SMN1; SMN2KCNH2EPHX2ALDH1A1DYRK1A
SCHEMBL28623538 0.82 CYP1A2 (0.73) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18580663 0.81 DYRK1A (0.44) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18580843 0.81 POLB (0.49) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18579782 0.81 DCLK1 (0.44) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL10963928 0.81 MAPT (0.54) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL21471354 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP3A4CYP1A2CYP2D6CYP2C19

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 SMN1; SMN2 4812/4885CYP3A4 387/4885CYP1A2 706/4885
US-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, CYP3A43 SMN1; SMN2 4303/4885CYP3A4 60/4885CYP1A2 54/4885
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT SMN1; SMN2 4812/4885CYP3A4 387/4885CYP1A2 706/4885
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 SMN1; SMN2 4367/4885CYP3A4 75/4885CYP1A2 90/4885
US-10543200-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 SMN1; SMN2 4367/4885CYP3A4 75/4885CYP1A2 90/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 SMN1; SMN2 4367/4885CYP3A4 75/4885CYP1A2 90/4885
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT SMN1; SMN2 4812/4885CYP3A4 387/4885CYP1A2 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.