SCHEMBL2997702

SCHEMBL2997702

CSc1ccc(/C=C2/CN(Cc3ccc(F)cc3)CC(C)(C)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
ACHE P22303 5/20 0.36
PAX8 Q06710 1/20 0.36
NPC1 O15118 1/20 0.35
NR2F2 P24468 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
HSD11B1 P28845 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL2997704 1.00 KMT2A (0.38) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL2997705 0.89 ALDH1A1 (0.49) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL2997703 0.89 ALDH1A1 (0.49) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL3006044 0.78 ACHE (0.53) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL3006047 0.78 ACHE (0.53) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL2997382 0.75 IKBKB (0.44) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL2997384 0.75 IKBKB (0.44) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL3006677 0.72 LMNA (0.51) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL3006675 0.72 LMNA (0.51) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL3005164 0.72 MAPT (0.50) KMT2AMAPTMAPK1KDM4EALDH1A1

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 1 patent. 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 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 KMT2A 4596/4885MAPT 40/4885MAPK1 2966/4885

“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.