SCHEMBL18554188

SCHEMBL18554188

CCCCCON(C(N)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
MAPT P10636 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TSHR P16473 5/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 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
SCHEMBL27399370 0.98 LMNA (0.52) CYP3A4LMNAMEN1NR1I2CHRM2
Formaldehyde SCHEMBL28509743 0.97 CYP3A4 (0.48) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL8395346 0.95 CYP3A4 (0.44) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL6001172 0.87 TSHR (0.47) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL6002725 0.86 TSHR (0.49) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL6001168 0.86 TSHR (0.46) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL27729849 0.86 TSHR (0.49) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL31061150 0.86 TSHR (0.49) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL10396562 0.84 ALDH1A1 (0.42) CYP3A4LMNAMEN1NR1I2CHRM2
SCHEMBL6002722 0.84 TSHR (0.47) CYP3A4LMNAMEN1NR1I2CHRM2

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 7 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
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-10543200-B2 Compositions and methods for drug sensitization of parasites THE TEXAS A&M UNIVERSITY SYSTEM (US) 2020-01-28 US disclosed
US-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM 2018-08-30 US disclosed
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP disclosed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 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 (4 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-20180243275-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, CYP3A43 CYP3A4 60/4885LMNA 3424/4885MEN1 4435/4885
US-20200138796-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES ABCC1, SLC11A2, ABCG2 CYP3A4 75/4885LMNA 2846/4885MEN1 3828/4885
US-10543200-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 CYP3A4 75/4885LMNA 2846/4885MEN1 3828/4885
US-11083717-B2 Compositions and methods for drug sensitization of parasites ABCC1, SLC11A2, ABCG2 CYP3A4 75/4885LMNA 2846/4885MEN1 3828/4885

“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.