SCHEMBL5648449

SCHEMBL5648449

CN1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2-c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HPGD P15428 6/20 0.51
MAPT P10636 4/20 0.51
HSD17B10 Q99714 4/20 0.51
PTPN7 P35236 3/20 0.51
DUSP3 P51452 3/20 0.51
APOBEC3G Q9HC16 3/20 0.51
ALOX15 P16050 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 1/20 0.41
CHEK1 O14757 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL5651062 0.90 ALDH1A1 (0.47) ALDH1A1HPGDMAPTHSD17B10PTPN7
SCHEMBL5650705 0.81 KMT2A (0.43) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL5651076 0.80 BCL2L1 (0.47) ALDH1A1HPGDMAPTHSD17B10HTT
SCHEMBL5647917 0.79 ALOX5 (0.41) ALDH1A1HPGDMAPTPOLBKDM4E
SCHEMBL5649654 0.79 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL5652629 0.78 PLK1 (0.41) ALDH1A1HPGDMAPTHSD17B10HTT
SCHEMBL5651227 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMAPTPOLBKDM4E
SCHEMBL5650136 0.76 MAPT (0.51) ALDH1A1HPGDMAPTHSD17B10POLB
SCHEMBL5651783 0.76 ADORA2B (0.38) ALDH1A1HPGDMAPTHSD17B10ALOX15
SCHEMBL5649437 0.76 HPGD (0.44) ALDH1A1HPGDMAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176215-B2 Bicyclic oxopyridine and oxopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2007-02-13 US disclosed
US-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives UCB PHARMA S.A. (BE) 2004-12-16 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-20040254200-A1 Bicyclic oxopyridine and oxopyrimidine derivatives MAPK1, ALK, NAT1 ALDH1A1 1498/4885HPGD 1929/4885MAPT 3795/4885

“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.