SCHEMBL2979424

SCHEMBL2979424

CC(C)OCCCNCCn1cnc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 3/20 0.34
USP2 O75604 2/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CPB2 Q96IY4 2/20 0.32
DUSP3 P51452 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
SCHEMBL2971687 0.82 KDM4E (0.38) ALDH1A1SMN1; SMN2HPGDGAAMAPK1
SCHEMBL2971502 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDTSHRRECQL
SCHEMBL2970746 0.76 KDM4E (0.33) ALDH1A1RECQLCPB2KDM4E
SCHEMBL2968319 0.75
SCHEMBL2977655 0.72 ALDH1A1 (0.32) ALDH1A1CPB2KDM4ECPB1
SCHEMBL24655851 0.71 CPB2 (0.37) CPB2CPB1
SCHEMBL25565761 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRL3MBTL1GAA
SCHEMBL16964094 0.68 TDP1 (0.37) ALDH1A1TDP1CPB2CPB1MEN1
Hydrochloric Acid SCHEMBL23389223 0.66 CPB2 (0.46) ALDH1A1SMN1; SMN2MAPTNPSR1TDP1
SCHEMBL25565755 0.66 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US claimed
EP-1940802-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pfizer Products Inc. (US) 2008-07-09 EP claimed
WO-2007034326-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 US claimed
US-7781435-B2 Imidazole compounds for the treatment of neurological disorders PFIZER INC (US) 2010-08-24 US disclosed
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PFIZER INC (US) 2010-07-22 US disclosed
US-20070066613-A1 Imidazole compounds for the treatment of neurological disorders PFIZER INC 2007-03-22 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 (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-20070066613-A1 Imidazole compounds for the treatment of neurological disorders APP, PSEN1, BACE1 ALDH1A1 807/4885SMN1; SMN2 311/4885HPGD 1852/4885
US-20100184737-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS APP, PSEN1, BACE1 ALDH1A1 807/4885SMN1; SMN2 311/4885HPGD 1852/4885

“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.