SCHEMBL4448533

SCHEMBL4448533

Clc1nc2cnccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 4/20 0.42
PKM P14618 3/20 0.42
HPGD P15428 2/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GAA P10253 1/20 0.39
ACHE P22303 2/20 0.38
CHUK O15111 3/20 0.37
DAO P14920 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LDHA P00338 1/20 0.36
EPHX2 P34913 1/20 0.36
RHEB Q15382 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL4059259 0.75 NUDT1 (0.55) ALDH1A1KDM4EPDE3BPDE3AGAA
SCHEMBL3987647 0.75 PDE3B (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30678618 0.75 NUDT1 (0.55) ALDH1A1KDM4EPDE3BPDE3AGAA
SCHEMBL562793 0.75 DAO (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17950072 0.75 PDE3B (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2143546 0.75 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7578581 0.75 KDM4C (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9452004 0.75 PDE3B (0.42) ALDH1A1KDM4EPKMPDE3BPDE3A
SCHEMBL7278387 0.74 ALDH1A1 (0.77) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7270947 0.73 JAK2 (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270431-A1 Cyclopentenol Nucleoside Compounds Intermediates for their Synthesis and Methods of Treating Viral Infections THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2009-10-29 US disclosed
WO-2007047793-A2 CYCLOPENTENOL NUCLEOSIDE COMPOUNDS, INTERMEDIATES FOR THEIR SYNTHESIS AND METHODS OF TREATING VIRAL INFECTIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-04-26 WO disclosed
US-5446139-A Purine analog nucleoside and nucleotide compounds BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 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-20090270431-A1 Cyclopentenol Nucleoside Compounds Intermediates for their Synthesis and Methods of Treating Viral Infections REV1, NSUN2, ORC3 ALDH1A1 1749/4885NPC1 216/4885RAB9A 2279/4885

“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.