SCHEMBL14218007

SCHEMBL14218007

CCN1CCN(C(=O)CSc2cccc3cccc(Cl)c23)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
HPGD P15428 5/20 0.52
MAPT P10636 5/20 0.52
POLB P06746 4/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 5/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.50
RXFP1 Q9HBX9 2/20 0.48
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
HSD11B1 P28845 1/20 0.44

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
SCHEMBL4376244 0.85 NPC1 (0.59) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL4378626 0.81 ALDH1A1 (0.50) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL4379550 0.80 ALDH1A1 (0.51) ALDH1A1HPGDMAPTPOLBKDM4E
SCHEMBL4375723 0.80 TSHR (0.52) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL2852216 0.78 ALDH1A1 (0.49) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL14218057 0.74 KMT2A (0.55) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL3070296 0.73 POLB (0.62) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL14218059 0.73 KMT2A (0.67) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL3047400 0.68 ALDH1A1 (0.47) ALDH1A1HPGDMAPTPOLBKMT2A
SCHEMBL2377627 0.68 KMT2A (0.77) ALDH1A1HPGDKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US 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 (1 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALDH1A1 1907/4885HPGD 646/4885MAPT 1441/4885

“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.