SCHEMBL2481041

SCHEMBL2481041

O=C(c1cccnc1)N1N=CCC1CSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.61
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PLOD2 O00469 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL13388811 1.00 RIPK1 (0.61) RIPK1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12204414 0.81 RIPK1 (0.62) RIPK1ALDH1A1MAPTGAAL3MBTL1
SCHEMBL9378435 0.81 RIPK1 (0.62) RIPK1ALDH1A1MAPTGAAMEN1
SCHEMBL9383151 0.79 RIPK1 (0.59) RIPK1ALDH1A1MAPTGAAL3MBTL1
SCHEMBL9380032 0.77 RIPK1 (0.57) RIPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9370134 0.76 RIPK1 (1.00) RIPK1ALDH1A1L3MBTL1
SCHEMBL29595423 0.74 RIPK1 (0.66) RIPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2481688 0.74 RIPK1 (0.66) RIPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL179757 0.74 RIPK1 (0.66) RIPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL179758 0.74 RIPK1 (0.66) RIPK1ALDH1A1SMN1; SMN2LMNAMAPT

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
EP-1731509-B1 PROCESS FOR PRODUCING NITROGENOUS 5-MEMBERED CYCLIC COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2011-10-19 EP disclosed
US-7705161-B2 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-27 US disclosed
US-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-08-16 US disclosed
EP-1731509-A1 PROCESS FOR PRODUCING NITROGENOUS 5-MEMBERED CYCLIC COMPOUND Japan Science and Technology Agency (JP) 2006-12-13 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-20070191614-A1 Process for producing nitrogenous 5-membered cyclic compound HRH4, HRH2, HRH1 RIPK1 1274/4885ALDH1A1 605/4885SMN1; SMN2 4424/4885

“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.