SCHEMBL10135990

SCHEMBL10135990

O=C(c1ccccc1)N1CCc2cnc(Cl)cc2C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.63
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
PTGS1 P23219 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.48
PDE4B Q07343 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PDGFRB P09619 2/20 0.46
KDR P35968 1/20 0.46
GRM5 P41594 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL30062706 0.95 HPGD (0.63) HPGDMEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL23856164 0.95 HPGD (0.63) HPGDMEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL27940431 0.83 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL17620606 0.83 HPGD (0.67) HPGDMEN1KMT2ASMN1; SMN2HTT
SCHEMBL30063537 0.83 HPGD (0.67) HPGDMEN1KMT2ASMN1; SMN2HTT
SCHEMBL23537779 0.80 HPGD (0.58) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11085211 0.79 PTGS1 (0.68) HPGDMEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL16523571 0.78 CA1 (0.61) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL23856146 0.77 HPGD (0.47) HPGDSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL4279383 0.77 HPGD (0.73) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1

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-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2016-07-07 US disclosed
US-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBVIE DEUTSCHLAND (DE) 2016-07-07 US disclosed
WO-2012041814-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS ABBOTT GMBH & CO. KG (DE) 2012-04-05 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 (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-20160194320-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS GSK3B, GSK3A, GYS2 HPGD 1279/4885MEN1 2981/4885KMT2A 2945/4885

“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.