SCHEMBL10219869

SCHEMBL10219869

ClCCC1CCN(c2nc3ccc(Br)cc3s2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.64
NPC1 O15118 9/20 0.64
MAPT P10636 3/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 7/20 0.57
STAT3 P40763 1/20 0.50
PPARG P37231 6/20 0.45
PPARD Q03181 6/20 0.45
PPARA Q07869 5/20 0.45
TP53 P04637 3/20 0.45
MITF O75030 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL10219755 0.88 RAB9A (0.64) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL335645 0.86 NPC1 (0.64) RAB9ANPC1MAPTSMN1; SMN2PPARG
SCHEMBL10219811 0.85 MAPT (0.58) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10219864 0.83 PPARG (0.48) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL10219800 0.79 NPC1 (0.50) RAB9ANPC1MAPTSMN1; SMN2PPARG
SCHEMBL1094846 0.78 NPC1 (0.75) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL3468742 0.77 RAB9A (0.70) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1094816 0.77 NPC1 (0.73) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095922 0.76 RAB9A (0.64) RAB9ANPC1MAPTHTTALDH1A1
SCHEMBL1095926 0.76 RAB9A (0.64) RAB9ANPC1MAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP 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 (1 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG RAB9A 1784/4885NPC1 1742/4885MAPT 4787/4885

“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.