SCHEMBL9987606

SCHEMBL9987606

Cc1cccc(N2CCN(C(=O)CCCl)CC2)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 1/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
KMT2A Q03164 5/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
TSHR P16473 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPK1 P28482 1/20 0.65
LMNA P02545 5/20 0.62
MEN1 O00255 4/20 0.62
HTT P42858 1/20 0.62
ADAMTS5 Q9UNA0 2/20 0.60
POLB P06746 2/20 0.58
TP53 P04637 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL8912424 0.92 MAPT (0.72) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3301622 0.89 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL22053945 0.84 MAPT (0.72) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL4079406 0.84 MAPT (0.72) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL9052676 0.84 MAPT (0.69) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8706041 0.83 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL9051544 0.83 MAPT (0.71) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8901909 0.83 MAPT (0.67) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL17884493 0.82 MAPT (0.62) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL8902390 0.82 MAPT (0.66) MAPTALDH1A1KDM4EALOX15HSD17B10

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 MAPT 1257/4885ALDH1A1 2076/4885KDM4E 779/4885

“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.