SCHEMBL6364767

SCHEMBL6364767

CC(C)(C)c1ccc2[nH]cnc2c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PARP1 P09874 2/20 0.34
DPP4 P27487 2/20 0.34
PDE2A O00408 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
BRD4 O60885 1/20 0.32
PRNP P04156 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL18405893 0.81 LMNA (0.38) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL17307154 0.81 DPP4 (0.40) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL24854117 0.80 LMNA (0.37) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL2362289 0.76 LMNA (0.34) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL22380086 0.76 ALDH1A1 (0.40) LMNAALDH1A1PKMMEN1KMT2A
SCHEMBL762334 0.76 PARP1 (0.46) LMNAALDH1A1MEN1KMT2APARP1
SCHEMBL16589274 0.71 CSNK2A1 (0.38) ALDH1A1MEN1KMT2APARP1HPGD
SCHEMBL22793182 0.69 MEN1 (0.35) LMNAALDH1A1MEN1KMT2APOLB
SCHEMBL31320829 0.69 BRD4 (0.47) ALDH1A1MEN1KMT2APARP1DPP4
SCHEMBL7919226 0.69 PARP1 (0.45) LMNAALDH1A1PKMMEN1KMT2A

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-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 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-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ LMNA 4222/4885ALDH1A1 360/4885PKM 1610/4885

“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.