SCHEMBL5652559

SCHEMBL5652559

O=C(NCCCn1ccnc1)c1sc2c(ccc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
NAMPT P43490 3/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 2/20 0.47

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
SCHEMBL2949078 0.87 NAMPT (0.48) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL5654415 0.83 HIF1A (0.38) SMN1; SMN2LMNAHTTRAB9AHIF1A
SCHEMBL2956087 0.80 KMT2A (0.48) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL5652071 0.80 HTT (0.51) SMN1; SMN2LMNAHTTRAB9AHIF1A
SCHEMBL5652095 0.78 HPGD (0.45) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL5653732 0.78 PARP1 (0.47) LMNAKDM4EALDH1A1HSD17B10POLB
SCHEMBL5649437 0.78 HPGD (0.44) SMN1; SMN2LMNANPC1RAB9AKDM4E
SCHEMBL5652375 0.75 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL5652629 0.74 PLK1 (0.41) LMNAHTTNPC1RAB9AKDM4E
SCHEMBL1775216 0.71 SMN1; SMN2 (0.82) SMN1; SMN2HTTNPC1KDM4EALDH1A1

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 SMN1; SMN2 3476/4885LMNA 1417/4885HTT 3188/4885

“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.