SCHEMBL9611042

SCHEMBL9611042

CC(=O)c1nnc(-c2cc(Cl)c(O)c(Cl)c2)o1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
TTR P02766 2/20 0.41
SMPD1 P17405 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL693409 0.80 CA1 (0.55) NOTUMMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL693635 0.74 SMPD1 (0.50) SMPD1MAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL9613114 0.74 CA1 (0.52) NOTUMMAPK1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL12831210 0.73 PTPN1 (0.69) PTPN1ALDH1A1SMN1; SMN2RAB9APOLB
SCHEMBL693518 0.72 S1PR3 (0.50) SMPD1MAPK1PTPN1ALDH1A1
SCHEMBL692348 0.71 MEN1 (0.49) MAPK1RAB9A
SCHEMBL692438 0.70 HIF1A (0.45) SMPD1MAPK1PTPN1ALDH1A1SMN1; SMN2
SCHEMBL18704588 0.68 KDM4E (0.57) NOTUMSMPD1MAPK1PTPN1ALDH1A1
SCHEMBL18704581 0.67 KDM4E (0.49) NOTUMSMPD1MAPK1PTPN1ALDH1A1
SCHEMBL3243039 0.64 TTR (0.62) TTRMAPK1LMNAALDH1A1SMN1; SMN2

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 NOTUM 4053/4885TTR 2229/4885SMPD1 1256/4885
US-20110288103-A1 COMPOUNDS, COMPOSITIONS, AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES ORAI1, ATP2A3, ANO1 NOTUM 2389/4885TTR 4286/4885SMPD1 829/4885

“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.