SCHEMBL6405539

SCHEMBL6405539

[O]c1c(-c2ccccc2)cccc1-c1cc2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.57
POLB P06746 1/20 0.57
MAOB P27338 5/20 0.56
ALDH1A1 P00352 3/20 0.56
MAOA P21397 2/20 0.56
KDM4E B2RXH2 2/20 0.56
PTPRC P08575 1/20 0.51
PTPN1 P18031 1/20 0.51
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
PRSS1 P07477 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL727203 0.86 MAOB (0.62) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL61412 0.83 RAB9A (0.59) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL731363 0.78 MAOB (0.71) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL31105656 0.78 MAOB (0.71) MEN1KMT2ARAB9ANPC1MAOB
SCHEMBL12854020 0.78 MAOB (0.71) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL61411 0.78 MAOB (0.71) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL26822225 0.78 MAOB (0.53) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL26821141 0.76 MAOB (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL29268823 0.76 KMT2A (0.51) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL332915 0.75 MAOB (0.63) MEN1KMT2ARAB9ANPC1POLB

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-20050014732-A1 Combination of an aldosterone receptor antagonist and an anti-diabetic agent PHARMACIA CORPORATION (US) 2005-01-20 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-20050014732-A1 Combination of an aldosterone receptor antagonist and an anti-diabetic agent NR3C2, REN, AGTR1 MEN1 3396/4885KMT2A 4444/4885RAB9A 2705/4885

“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.