SCHEMBL5654415

SCHEMBL5654415

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
ACKR3 P25106 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
FPR1 P21462 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL5652095 0.86 HPGD (0.45) KDM4ESMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL5649437 0.86 HPGD (0.44) RXFP1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL5651076 0.85 BCL2L1 (0.47) KDM4ESMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL5652071 0.84 HTT (0.51) HIF1AKDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL5653732 0.84 PARP1 (0.47) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL5651612 0.83 CNR2 (0.41) KDM4EALDH1A1HPGDPRF1
SCHEMBL5652559 0.83 SMN1; SMN2 (0.52) HIF1AKDM4ESMN1; SMN2HTTALDH1A1
SCHEMBL5652375 0.83 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2HTTALDH1A1HSD17B10
SCHEMBL5651037 0.83 PARP1 (0.46) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL5652629 0.82 PLK1 (0.41) KDM4EHTTALDH1A1HSD17B10HPGD

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 HIF1A 1212/4885RXFP1 401/4885KDM4E 3821/4885

“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.