SCHEMBL5981802

SCHEMBL5981802

O=C(O)c1cnc2ccccc2c1NCCCNc1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 2/20 0.45
RAD52 P43351 2/20 0.45
HPGD P15428 1/20 0.43
ASPH Q12797 2/20 0.43
KDM8 Q8N371 2/20 0.43
TOP2A P11388 2/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPK8 P45983 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
Pyrimidine SCHEMBL5524828 0.94 MEN1 (0.46) MEN1PKMKMT2APOLBRAD52
SCHEMBL2052464 0.84 MEN1 (0.57) MEN1PKMKMT2APOLBRAD52
SCHEMBL5508099 0.82 MEN1 (0.47) MEN1PKMKMT2APOLBRAD52
SCHEMBL5500673 0.81 KMT2A (0.72) MEN1PKMKMT2APOLBRAD52
SCHEMBL5502811 0.79 MEN1 (0.47) MEN1PKMKMT2APOLBRAD52
SCHEMBL5506961 0.77 MEN1 (0.49) MEN1PKMKMT2APOLBRAD52
SCHEMBL18998176 0.74 ALDH1A1 (0.48) MEN1PKMKMT2AHPGDMAPT
SCHEMBL4788245 0.73 CSF1R (0.56) MAPTKDM4EALDH1A1TP53SMN1; SMN2
SCHEMBL7540120 0.72 PTPN1 (0.45) MEN1PKMKMT2AHPGDMAPT
SCHEMBL1959406 0.71 POLB (0.46) MEN1PKMKMT2APOLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases SIRCAR JAGADISH C 2006-01-12 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-20060009487-A1 Heterocyclic derivatives for treatment of hyperlipidemia and related diseases LDLR, NPC1L1, CETP MEN1 4136/4885PKM 1796/4885KMT2A 3106/4885

“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.