SCHEMBL3968464

SCHEMBL3968464

COc1cc2ccc(Cl)nc2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 5/20 0.46
GSK3B P49841 1/20 0.46
MAP4K2 Q12851 1/20 0.46
NQO2 P16083 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TLR8 Q9NR97 1/20 0.40
GFER P55789 1/20 0.38
CGAS Q8N884 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL2322922 0.89 ALDH1A1 (0.55) PGK1NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30716530 0.89 ALDH1A1 (0.55) PGK1NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30908324 0.84 NQO2 (0.44) NQO2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL245893 0.84 CYP1A2 (0.46) PGK1GSK3BMAP4K2NQO2ALDH1A1
SCHEMBL3974454 0.82 ALDH1A1 (0.41) NQO2ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL27030139 0.82 ALDH1A1 (0.41) NQO2ALDH1A1KDM4ESMN1; SMN2PDGFRB
SCHEMBL27973464 0.82 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2GAANPC1
SCHEMBL23797347 0.79 AMY1A (0.43) PGK1NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30288413 0.79 ALDH1A1 (0.41) PGK1NQO2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL19677152 0.79 GAA (0.47) NQO2ALDH1A1KDM4ESMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US 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 PGK1 3337/4885GSK3B 3840/4885MAP4K2 1007/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 PGK1 3337/4885GSK3B 3840/4885MAP4K2 1007/4885

“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.