Sugi Predict

Sugi Predict / Compounds / SCHEMBL3727778

SCHEMBL3727778

SCHEMBL3727778

CCCCOC(=O)NC(=O)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.62
▸ MAPT P10636 4/20 0.62
▸ MEN1 O00255 4/20 0.61
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ PKM P14618 1/20 0.52
▸ CCR1 P32246 1/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ HTT P42858 1/20 0.51

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
SCHEMBL30969946 1.00 KMT2A (0.62) KMT2AMAPTMEN1NPC1POLB
SCHEMBL6866118 0.87 POLB (0.67) KMT2AMAPTMEN1NPC1POLB
SCHEMBL6865475 0.82 BCHE (0.49) KMT2AMAPTMEN1NPC1L3MBTL1
SCHEMBL21675546 0.77 KMT2A (0.64) KMT2AMAPTMEN1NPC1CCR1
SCHEMBL9423961 0.77 HDAC3 (0.51) KMT2AMAPTMEN1NPC1POLB
SCHEMBL6867060 0.77 KMT2A (0.62) KMT2AMAPTMEN1NPC1POLB
SCHEMBL17562151 0.74 KMT2A (0.71) KMT2AMAPTMEN1NPC1POLB
SCHEMBL6695263 0.73 HDAC3 (0.69) KMT2AMAPTMEN1POLBL3MBTL1
Hydrochloric Acid SCHEMBL11393971 0.72 KMT2A (0.58) KMT2AMAPTMEN1NPC1CCR1
SCHEMBL6865066 0.72 POLB (0.53) KMT2AMAPTMEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 — — US claimed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 — — US claimed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 — — EP claimed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 — — WO claimed
US-10449216-B2 Modulating drug effects against metabotropic glutamate receptor with extracellular calcium GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-10-22 — — US disclosed
US-20160220603-A1 MODULATING DRUG EFFECTS AGAINST METABOTROPIC GLUTAMATE RECEPTOR WITH EXTRACELLULAR CALCIUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2016-08-04 — — US disclosed
WO-2015039003-A1 MODULATING DRUG EFFECTS AGAINST METABOTROPIC GLUTAMATE RECEPTOR WITH EXTRACELLULAR CALCIUM GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-03-19 — — WO disclosed
US-20120264784-A1 METHODS OF TREATING ELEVATIONS IN MTOR SIGNALING MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-10-18 — — US disclosed
US-20100062987-A1 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2010-03-11 — — US disclosed
EP-2091521-A1 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (Institut National de la Santé et de la Recherche Medicale) (FR) 2009-08-26 — — EP disclosed
EP-1927348-A1 Anticonvulsive pharmaceutical compositions INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-06-04 — — EP disclosed
WO-2008062040-A1 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2008-05-29 — — WO disclosed
US-6803381-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS, ACTING AS ANTAGONISTS OR AGONISTS HOFFMANN-LA ROCHE INC. 2004-10-12 — — US disclosed
US-6596743-B2 Control or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-07-22 — — US disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 — — US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 — — US disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 — — EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 — — 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 (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-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 KMT2A 278/4885MAPT 622/4885MEN1 3582/4885
US-20120264784-A1 METHODS OF TREATING ELEVATIONS IN MTOR SIGNALING MTOR, RPTOR, GRM1 KMT2A 738/4885MAPT 1906/4885MEN1 1540/4885

“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.