SCHEMBL3972295

SCHEMBL3972295

Cc1cc2ccc(Cl)nc2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBNL1 Q9NR56 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.34
NMT1 P30419 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
TERT O14746 3/20 0.32
BACE1 P56817 2/20 0.32
NCK1 P16333 1/20 0.32

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
SCHEMBL30908546 0.92 ALDH1A1 (0.41) MBNL1ALDH1A1KDM4EKMT2ACYP3A4
SCHEMBL29281202 0.84 BACE1 (0.36) ALDH1A1KDM4EKMT2ACYP3A4CYP2C19
SCHEMBL28279999 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ACYP3A4CYP2C19
SCHEMBL30074603 0.77 ESR1 (0.38) ALDH1A1KDM4EBACE1
SCHEMBL25911368 0.77 ESR1 (0.38) ALDH1A1KDM4EBACE1
SCHEMBL23797346 0.77 BACE1 (0.33) NMT1BACE1RAB9A
SCHEMBL27533227 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2ACYP3A4CYP2C19
SCHEMBL23872484 0.77 MBNL1 (0.38) MBNL1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3974454 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1KCNQ3
SCHEMBL2535158 0.73 KDM4E (0.50) ALDH1A1KDM4EKMT2ACYP3A4CYP2C19

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 MBNL1 4814/4885ALDH1A1 2719/4885KDM4E 1574/4885
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 MBNL1 4814/4885ALDH1A1 2719/4885KDM4E 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.