SCHEMBL2997705

SCHEMBL2997705

CSc1ccc(C=C2CN(Cc3ccccc3)CC(C)(C)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
BCHE P06276 2/20 0.46
PTGS2 P35354 1/20 0.46
ACHE P22303 7/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
P4HB P07237 1/20 0.42
PAX8 Q06710 1/20 0.42
CARM1 Q86X55 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2997703 1.00 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL3006047 0.89 ACHE (0.53) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL3006044 0.89 ACHE (0.53) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL2997702 0.89 KMT2A (0.38) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL2997704 0.89 KMT2A (0.38) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL3005167 0.83 MAPT (0.50) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL3006675 0.83 LMNA (0.51) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL3006677 0.83 LMNA (0.51) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL3005164 0.83 MAPT (0.50) ALDH1A1KMT2AMAPTMAPK1KDM4E
SCHEMBL2999863 0.79 MAPT (0.69) ALDH1A1KMT2AMAPTMAPK1KDM4E

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-20100190824-A1 Novel Substituted Piperidones as HSP Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-29 US claimed
US-20100190824-A1 Novel Substituted Piperidones as HSP Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-29 US disclosed
EP-2178835-A1 NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS Torrent Pharmaceuticals Ltd (IN) 2010-04-28 EP disclosed
WO-2009004650-A1 NOVEL SUBSTITUTED PIPERIDONES AS HSP INDUCERS TORRENT PHARMACEUTICALS LTD. (IN) 2009-01-08 WO 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-20100190824-A1 Novel Substituted Piperidones as HSP Inducers HSF1, HSPA4, HSPA5 ALDH1A1 541/4885KMT2A 4596/4885MAPT 40/4885

“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.