Sugi Predict

Sugi Predict / Compounds / SCHEMBL3239840

SCHEMBL3239840

SCHEMBL3239840

Oc1c(Cl)cc(-c2nnc(Cc3ccsc3)s2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 P31639 8/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TTR P02766 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NR1I3 Q14994 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3241933 0.79 FFAR1 (0.43) SLC5A2HDAC6ALDH1A1POLBHTT
SCHEMBL3232792 0.68 NPC1 (0.40) ALDH1A1POLBKDM4EMAPTL3MBTL1
SCHEMBL3733435 0.67 ALDH1A1 (0.61) ALDH1A1POLBHTTGLSMAPT
SCHEMBL3240181 0.67 PTPRE (0.45) ALDH1A1MAPTL3MBTL1
SCHEMBL3244282 0.66 PARP15 (0.33) ALDH1A1POLBTTR
SCHEMBL3232674 0.65 HDAC6 (0.39) HDAC6ALDH1A1HTTPTGS1PTGS2
SCHEMBL12993518 0.62 HDAC6 (0.63) SLC5A2HDAC6ALDH1A1POLB
SCHEMBL9357255 0.61 TAAR1 (0.56) HDAC6ALDH1A1PTGS1PTGS2MAPT
SCHEMBL6565718 0.59 ALDH1A1 (0.51) HDAC6ALDH1A1NR1I3MAPTL3MBTL1
SCHEMBL21944748 0.59 NOTUM (0.55) SLC5A2HDAC6ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 SLC5A2 843/4885HDAC6 829/4885ALDH1A1 2115/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 SLC5A2 843/4885HDAC6 829/4885ALDH1A1 2115/4885

“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.