SCHEMBL4590099

SCHEMBL4590099

CCOc1ccccc1[Mg]Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 7/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
HCRTR1 O43613 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 1/20 0.39
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3136122 0.82 CYP1A2 (0.55) L3MBTL1MAPTTDP1CYP1A2CYP2D6
SCHEMBL10362099 0.80 LMNA (0.50) ALDH1A1L3MBTL1MAPTCYP1A2CYP2C19
SCHEMBL7849178 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL29428929 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL578986 0.77 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL1513410 0.76 MAPT (0.53) L3MBTL1MAPTTDP1GAA
SCHEMBL29375470 0.76 CA1 (0.55) ALDH1A1L3MBTL1MAPTTDP1CYP2C19
SCHEMBL162625 0.76 CA1 (0.55) ALDH1A1L3MBTL1MAPTTDP1CYP2C19
SCHEMBL5879025 0.75 HPGD (0.47) ALDH1A1L3MBTL1MAPTCYP1A2CYP2D6
SCHEMBL2903190 0.73 L3MBTL1 (0.56) ALDH1A1L3MBTL1MAPTNPSR1GLA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3628320-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2022-03-16 EP disclosed
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
EP-3904337-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM Wako Pure Chemical Corporation (JP) 2021-11-03 EP disclosed
CN-113166043-A Electrolyte for sulfur-based magnesium battery 富士胶片和光纯药株式会社 2021-07-23 CN disclosed
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF SCHRÖDINGER, INC. 2020-04-02 US disclosed
EP-3628320-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2020-04-01 EP disclosed
US-10472374-B2 ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2019-11-12 US disclosed
EP-3329919-B1 ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2019-11-06 EP disclosed
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2019-01-17 US disclosed
EP-3329919-A1 ACC INHIBITORS AND USES THEREOF Gilead Apollo, LLC (US) 2018-06-06 EP disclosed
US-7129240-B2 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2006-10-31 US disclosed
US-7119086-B2 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI (FR) 2004-10-21 US disclosed
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2004-09-16 US disclosed
US-6730695-B2 TREATMENT OF HYPERTENSION, CENTRAL NERVOUS SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 2004-05-04 US disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US disclosed
US-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors SANOFI (FR) 2003-06-19 US disclosed
US-4925504-A HYDROXY-TERMINATED POLY POLYURETHANE BUTADIENE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1990-05-15 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 (9 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-20030114683-A1 Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors AVPR1B, AVPR1A, AVPR2 ALDH1A1 2322/4885L3MBTL1 4772/4885MAPT 1850/4885
US-20200102323-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885L3MBTL1 2864/4885MAPT 2490/4885
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL SLC26A3, PRDX4, PRDX2 ALDH1A1 3074/4885L3MBTL1 2002/4885MAPT 4755/4885
US-10472374-B2 ACC inhibitors and uses thereof ACACA, ACACB, ACAT2 ALDH1A1 104/4885L3MBTL1 2864/4885MAPT 2490/4885
US-20190016732-A1 ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 ALDH1A1 104/4885L3MBTL1 2864/4885MAPT 2490/4885
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 ALDH1A1 3469/4885L3MBTL1 4450/4885MAPT 2716/4885
US-20040209938-A1 Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR2, AVPR1B, AVPR1A ALDH1A1 1500/4885L3MBTL1 4877/4885MAPT 3101/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A ALDH1A1 2849/4885L3MBTL1 4860/4885MAPT 1960/4885
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use AVPR2, AVPR1A, AVPR1B ALDH1A1 3049/4885L3MBTL1 4729/4885MAPT 3026/4885

“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.