SCHEMBL3965668

SCHEMBL3965668

CCCc1ccc2nc(Cl)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TEC P42680 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
PSMB5 P28074 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TLR8 Q9NR97 5/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDE10A Q9Y233 1/20 0.37
NMT1 P30419 1/20 0.35

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
SCHEMBL12109950 0.85 CYP1A2 (0.48) TECALDH1A1RAB9AKDM4ECYP3A4
SCHEMBL27573018 0.82 TEC (0.40) TECKDM4ECYP3A4CYP2C19HIF1A
SCHEMBL11453512 0.80 CYP1A2 (0.55) RAB9AKDM4EPSMB5CNR1CNR2
SCHEMBL28309810 0.79 KDM4E (0.43) TECALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL21863360 0.79 CNR1 (0.47) KDM4ECYP3A4HIF1APSMB5CNR1
SCHEMBL29091862 0.78 TEC (0.38) TECALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL21458200 0.78 RECQL (0.46) TECALDH1A1RAB9AKDM4ECYP3A4
Hydrochloric Acid SCHEMBL28309065 0.78 KDM4E (0.42) TECALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL30718745 0.78 RECQL (0.46) TECALDH1A1RAB9AKDM4ECYP3A4
SCHEMBL1193079 0.78 TEC (0.42) TECKDM4ECYP3A4CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TEC 2881/4885ALDH1A1 2719/4885RAB9A 3350/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 TEC 2881/4885ALDH1A1 2719/4885RAB9A 3350/4885

“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.