SCHEMBL4246697

SCHEMBL4246697

Nc1ccc(Oc2nc3ccc(Cl)cc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
TP53 P04637 1/20 0.44
PPARA Q07869 1/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 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
SCHEMBL10694481 0.88 LOXL2 (0.48) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2002218 0.86 APP (0.47) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18612365 0.85 AURKB (0.48) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8686061 0.85 PPARA (0.45) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8684173 0.85 PPARA (0.45) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13588690 0.85 SMN1; SMN2 (0.50) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18580309 0.85 LTA4H (0.45) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4246691 0.82 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AMAPTHTT
SCHEMBL18580741 0.82 APP (0.58) APPSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL18554124 0.82 SMN1; SMN2 (0.44) APPSMN1; SMN2NPC1RAB9AMAPT

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 17 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
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 US disclosed
US-5077300-A Parasiticides CIBA-GEIGY CORPORATION (US) 1991-12-31 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 (8 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 APP 3877/4885SMN1; SMN2 4812/4885NPC1 1297/4885
US-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, CYP3A43 APP 4111/4885SMN1; SMN2 4303/4885NPC1 1440/4885
US-20190314381-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT APP 3877/4885SMN1; SMN2 4812/4885NPC1 1297/4885
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 APP 4045/4885SMN1; SMN2 4367/4885NPC1 1324/4885
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 APP 1248/4885SMN1; SMN2 4143/4885NPC1 163/4885
US-10543200-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 APP 4045/4885SMN1; SMN2 4367/4885NPC1 1324/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 APP 4045/4885SMN1; SMN2 4367/4885NPC1 1324/4885
US-20170065601-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF MYCOBACTERIA ME3, PGLS, GNPAT APP 3877/4885SMN1; SMN2 4812/4885NPC1 1297/4885

“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.