SCHEMBL4569965

SCHEMBL4569965

c1ccc(-c2ccc3c(c2)OCO3)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.68
NPC1 O15118 6/20 0.68
MAPT P10636 6/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
POLB P06746 3/20 0.68
PKM P14618 3/20 0.68
TP53 P04637 2/20 0.68
ESR2 Q92731 1/20 0.68
KDM4E B2RXH2 8/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 5/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TGFBR1 P36897 5/20 0.56
DCTPP1 Q9H773 1/20 0.56
ADORA2A P29274 2/20 0.55

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
SCHEMBL29496952 1.00 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL29496949 1.00 RAB9A (0.68) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL21451444 0.90 NPC1 (0.56) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL15188295 0.83 TGFBR1 (0.57) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6600949 0.83 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL4035328 0.81 MAPT (0.55) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL3243762 0.79 MAPT (0.53) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL4134118 0.79 NPC1 (0.65) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL9739930 0.79 NPC1 (0.54) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL20380088 0.78 KDM4E (0.59) RAB9ANPC1MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637563-B2 Non-peptide thrombopoietin receptor agonist in the treatment of cancer and pre-cancerous syndromes GLAXOSMITHKLINE LLC (US) 2014-01-28 US disclosed
US-20120122679-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-17 US disclosed
US-20120122679-A1 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-17 US disclosed
WO-2011017334-A2 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 WO 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-20120122679-A1 MESOIONIC PESTICIDES CHRM2, CHRM5, CHRM1 RAB9A 1515/4885NPC1 3740/4885MAPT 4703/4885

“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.