SCHEMBL9987696

SCHEMBL9987696

CC(C)(C)c1ccc(N2CCN(C(=O)CCCl)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GFER P55789 1/20 0.58
MAPT P10636 6/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.52
MAPK1 P28482 2/20 0.51
USP2 O75604 2/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
ME2 P23368 2/20 0.49
ME1 P48163 2/20 0.49
ME3 Q16798 2/20 0.49
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL946765 0.88 ALDH1A1 (0.57) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL9987625 0.86 ME2 (0.62) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL17855987 0.86 ALDH1A1 (0.60) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL762466 0.84 MAPT (0.58) ALDH1A1GFERMAPTKDM4ELMNA
SCHEMBL12047642 0.84 MAPT (0.61) ALDH1A1GFERMAPTLMNAHTT
SCHEMBL9987526 0.82 KMT2A (0.68) ALDH1A1GFERMAPTLMNAHTT
SCHEMBL9988352 0.82 MEN1 (0.59) ALDH1A1LMNAHTTPOLBMEN1
SCHEMBL3796852 0.81 ME2 (0.72) ALDH1A1GFERMAPTLMNAHTT
SCHEMBL9988385 0.80 MAPT (0.76) ALDH1A1GFERMAPTLMNAHSD17B10
SCHEMBL9987782 0.80 MAPT (0.67) ALDH1A1GFERMAPTLMNAHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383631-B2 1,6-disubstituted-3-amino-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridin-7-one compounds and preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-26 US disclosed
US-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 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-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, THPO, PLEC ALDH1A1 2076/4885GFER 4865/4885MAPT 1257/4885

“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.