SCHEMBL3974447

SCHEMBL3974447

Clc1ccc2cc(-n3cccn3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
NLRP3 Q96P20 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F10 P00742 1/20 0.38
PDK2 Q15119 1/20 0.37
MAPT P10636 2/20 0.36
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL28254795 0.78 HRH3 (0.50) HRH3NOTUMKDM4EALDH1A1MAPK1
SCHEMBL28046310 0.78 NCOA3 (0.56) HRH3NOTUMKDM4EALDH1A1MAPK1
SCHEMBL12313261 0.77 POLB (0.50) KDM4EALDH1A1MAPK1MAPTMAOA
SCHEMBL3665773 0.76 NOTUM (0.53) HRH3NOTUMKDM4EALDH1A1MAPK1
SCHEMBL6779647 0.73 NOTUM (0.50) HRH3NOTUMKDM4EALDH1A1MAPK1
SCHEMBL30437871 0.73 NLRP3 (0.55) HRH3NOTUMKDM4EALDH1A1MAPK1
SCHEMBL11337325 0.73 NOTUM (0.63) NOTUMKDM4EALDH1A1MAPK1MEN1
SCHEMBL7425604 0.73 NOTUM (0.50) HRH3NOTUMKDM4EALDH1A1MAPK1
SCHEMBL16506222 0.72 NOTUM (0.57) NOTUMKDM4EALDH1A1MAPK1NLRP3
SCHEMBL23667579 0.72 KDM4E (0.57) HRH3NOTUMKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101805298-A Novel aryl-with heteroaryl-piperazine HIGH POINT PHARMACEUTICALS LLC 2010-08-18 CN disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 CN disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 EP disclosed
US-20030236259-A1 Novel aryl- and heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC 2003-12-25 US disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 WO 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 (2 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-20030236259-A1 Novel aryl- and heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885NOTUM 3363/4885KDM4E 1574/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 HRH3 1/4885NOTUM 3363/4885KDM4E 1574/4885

“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.