SCHEMBL10219811

SCHEMBL10219811

Cc1ccc2nc(N3CCC(CCCl)CC3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
TP53 P04637 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 5/20 0.50
MITF O75030 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 2/20 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
SCHEMBL10219764 0.88 TP53 (0.61) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL335645 0.86 NPC1 (0.64) MAPTSMN1; SMN2NPC1RAB9APPARG
SCHEMBL10219869 0.85 RAB9A (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL10219864 0.83 PPARG (0.48) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL21668800 0.79 MAPT (0.59) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL10219800 0.79 NPC1 (0.50) MAPTSMN1; SMN2NPC1RAB9APPARG
SCHEMBL19321443 0.79 RAB9A (0.68) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL14144147 0.77 PPARD (0.71) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL10271189 0.77 PPARD (0.75) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL10271556 0.77 PPARG (0.64) MAPTTP53SMN1; SMN2NPC1RAB9A

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 4 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

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 MAPT 4787/4885TP53 2406/4885SMN1; SMN2 4505/4885

“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.