SCHEMBL9987671

SCHEMBL9987671

O=C(CCCl)N1CCN(c2ccccn2)CC1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.75
HSD17B10 Q99714 8/20 0.75
HPGD P15428 2/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2C9 P11712 1/20 0.75
RECQL P46063 1/20 0.75
ALDH1A1 P00352 10/20 0.71
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 3/20 0.67
KMT2A Q03164 2/20 0.67
NPC1 O15118 2/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
HTR7 P34969 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 1/20 0.63
NAMPT P43490 1/20 0.61
GLA P06280 1/20 0.60

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
SCHEMBL30206549 1.00 KDM4E (0.75) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL7362098 0.86 KDM4E (1.00) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL5052466 0.84 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL596065 0.84 KDM4E (0.72) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL12781875 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15630682 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL15007834 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL6387072 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
SCHEMBL14340860 0.82 KDM4E (0.70) KDM4EHSD17B10HPGDCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4383380 0.81 HSD17B10 (0.76) KDM4EHSD17B10HPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110511215-B Aryl piperazine/piperidine compound and application thereof 复旦大学 2023-03-28 CN disclosed
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 KDM4E 779/4885HSD17B10 4397/4885HPGD 3095/4885

“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.