SCHEMBL9611047

SCHEMBL9611047

CC(=O)c1nnc(-c2cccc(NS(=O)(=O)C(F)(F)F)c2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
TSHR P16473 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
RXFP1 Q9HBX9 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA2 P00918 1/20 0.43
KDM1A O60341 1/20 0.43
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 2/20 0.42
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRMT6 Q96LA8 1/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9611055 0.85 MAPK1 (0.52) SMN1; SMN2TSHRNPC1RAB9ARXFP1
SCHEMBL692852 0.85 CA1 (0.52) SMN1; SMN2TSHRNPC1RAB9AKDM4E
SCHEMBL9611048 0.81 TP53 (0.49) SMN1; SMN2TSHRNPC1RAB9AKDM4E
SCHEMBL691309 0.80 EPHX2 (0.48) SMN1; SMN2KDM4EUSP2MEN1KMT2A
SCHEMBL691261 0.77 PRMT6 (0.41) SMN1; SMN2TSHRKDM4ECYP3A4CYP2D6
SCHEMBL691959 0.76 MAPK14 (0.44) SMN1; SMN2TSHRNPC1RAB9AKDM4E
SCHEMBL692676 0.75 LMNA (0.48) SMN1; SMN2TSHRMAPK1HSD17B10NPSR1
SCHEMBL692662 0.75 USP2 (0.44) TSHRCYP2C19CA2USP2MEN1
SCHEMBL5432947 0.73 ALDH1A1 (0.67) SMN1; SMN2NPC1RAB9ACA2MAPK1
SCHEMBL21866566 0.73 LCLAT1 (0.67) SMN1; SMN2TSHRNPC1RAB9AKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 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 (2 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-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 SMN1; SMN2 3981/4885TSHR 2451/4885NPC1 493/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 SMN1; SMN2 697/4885TSHR 4382/4885NPC1 478/4885

“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.