SCHEMBL3241933

SCHEMBL3241933

Oc1c(Cl)cc(-c2nnc(Cc3cccc(Cl)c3)s2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
SLC5A2 P31639 7/20 0.42
GPR52 Q9Y2T5 1/20 0.39
NR1I3 Q14994 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
DGAT1 O75907 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL3239840 0.79 SLC5A2 (0.41) SLC5A2NR1I3HDAC6ALDH1A1POLB
SCHEMBL605184 0.73 ALDH1A1 (0.66) FFAR1ALDH1A1POLBHTTLMNA
SCHEMBL3240181 0.69 PTPRE (0.45) ALDH1A1
SCHEMBL12993518 0.68 HDAC6 (0.63) SLC5A2HDAC6ALDH1A1POLBLMNA
SCHEMBL31385197 0.68 HDAC1 (0.46) FFAR1POLBSUCNR1
SCHEMBL3232674 0.68 HDAC6 (0.39) HDAC6ALDH1A1HTTLMNA
SCHEMBL3819147 0.67 TAAR1 (0.49) ALDH1A1POLBSUCNR1
SCHEMBL3232792 0.65 NPC1 (0.40) ALDH1A1POLB
SCHEMBL3300276 0.65 PNMT (0.65)
SCHEMBL21944748 0.62 NOTUM (0.55) SLC5A2HDAC6ALDH1A1HTTLMNA

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 FFAR1 1350/4885SLC5A2 843/4885GPR52 1248/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 FFAR1 1350/4885SLC5A2 843/4885GPR52 1248/4885

“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.