SCHEMBL10061985

SCHEMBL10061985

O=C(Nc1ccc2c(c1)OCO2)Nc1c2ccccc2nc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.74
NPC1 O15118 12/20 0.65
RAB9A P51151 12/20 0.65
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MEN1 O00255 4/20 0.65
POLB P06746 3/20 0.65
MAPT P10636 4/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
GSK3B P49841 1/20 0.60
KDM4E B2RXH2 2/20 0.59
ATM Q13315 1/20 0.58
PAX8 Q06710 1/20 0.58
KLF5 Q13887 1/20 0.58
KDM1A O60341 1/20 0.57
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 1/20 0.56

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
SCHEMBL13253516 0.86 MEN1 (0.64) EGFRNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL12010919 0.82 RAB9A (0.84) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL13888984 0.81 KDM1A (0.84) EGFRNPC1RAB9AKMT2AMEN1
SCHEMBL107421 0.81 RAB9A (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7656183 0.79 RAB9A (0.61) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL12692443 0.76 RAB9A (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4307478 0.75 GSK3B (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL5658138 0.75 NPC1 (0.72) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4647917 0.73 NPC1 (0.77) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL6295679 0.73 NPC1 (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (2 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B EGFR 3992/4885NPC1 233/4885RAB9A 2530/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 EGFR 3330/4885NPC1 3242/4885RAB9A 1746/4885

“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.