SCHEMBL3973651

SCHEMBL3973651

O=c1ccc2cc(-n3cccn3)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
F11 P03951 1/20 0.45
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
TBXAS1 P24557 1/20 0.43
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NOTUM Q6P988 1/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ERCC1 P07992 1/20 0.40

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
SCHEMBL3665773 0.74 NOTUM (0.53) MAPK1KDM4EALDH1A1NOTUMHRH3
SCHEMBL10464389 0.73 CYP19A1 (0.56) CA12CA9F11PDE3BPDE3A
SCHEMBL30046695 0.73 TNIK (0.59) MAPK1KDM4EALDH1A1NOTUMCHEK1
Hydrochloric Acid SCHEMBL1901146 0.72 CYP19A1 (0.55) CA12CA9F11PDE3BPDE3A
SCHEMBL1903866 0.72 CA12 (0.51) CA12CA9F11PDE3BPDE3A
SCHEMBL7026191 0.72 KDM4E (0.44) CA12CA9PDE3AMAPK1KDM4E
SCHEMBL6779647 0.71 NOTUM (0.50) MAPK1KDM4EALDH1A1NOTUMERCC1
SCHEMBL30500485 0.71 KDM4E (0.50) MAPK1KDM4EALDH1A1NOTUMERCC1
SCHEMBL17531761 0.71 NOTUM (0.46) MAPK1KDM4EALDH1A1NOTUMERCC1
SCHEMBL8146605 0.71 NOTUM (0.46) MAPK1KDM4EALDH1A1NOTUMCA1

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 CA12 4437/4885CA9 4868/4885F11 4461/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 CA12 4437/4885CA9 4868/4885F11 4461/4885

“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.