SCHEMBL7801336

SCHEMBL7801336

COc1cc(N)c(I)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
GAA P10253 1/20 0.46
APP P05067 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ACHE P22303 3/20 0.44
HTR4 Q13639 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CFTR P13569 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.39
P2RX2 Q9UBL9 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL12677220 0.86 KDM4E (0.47) ALDH1A1KDM4EGAAAPPACHE
SCHEMBL28443885 0.86 KDM4E (0.51) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL1965781 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL31634578 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL2596444 0.84 GAA (0.66) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL9706363 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL16400171 0.82 HTR4 (0.48) ALDH1A1KDM4EGAAACHEHTR4
SCHEMBL22691985 0.81 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDLCKFYN
SCHEMBL22987116 0.81 TSHR (0.53) KDM4EGAAHSD17B10LMNAL3MBTL1
SCHEMBL23874532 0.81 GAA (0.61) ALDH1A1KDM4EHPGDGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3586838-B1 AMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-10925848-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-02-23 US disclosed
CN-105705488-B Compounds of acetylcholinesterase inhibitors and 5-hydroxytryptamine receptor 4 agonists, process for their preparation and pharmaceutical compositions thereof 卡昂大学 2020-03-24 CN disclosed
US-9663465-B2 Acetylcholinesterase inhibitors and promnesiant serotonin 5-HT4 receptor agonists, their methods of preparation and the pharmaceutical compositions containing the same UNIVERSITE DE CAEN (FR) 2017-05-30 US disclosed
US-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UNIVERSITE DE CAEN (FR) 2016-05-05 US disclosed
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed
EP-0650475-B1 4-AMINO-N-(4-METHYL-4-PIPERIDINYL)-2-METHOXYBENZAMIDES, THEIR PREPARATION AND THEIR USE AS 5-HT2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 1999-09-01 EP disclosed
CN-1222145-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM PLC (GB) 1999-07-07 CN disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 WO disclosed
US-5691358-A IMAGING 5-HT2-RECEPTOR SITES, RADIOLABELED JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-25 US disclosed
US-5688814-A MARKING 5HT2 RECEPTORS JANSSEN PHARMACEUTICA, N.V. (BE) 1997-11-18 US disclosed
US-5498618-A ANTAGONISM OF 5-HT2 JANSSEN PHARMACEUTICA N.V. (BE) 1996-03-12 US disclosed
EP-0650475-A1 4-AMINO-N --(4-METHYL-4-PIPERIDINYL)-2-METHOXYBENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1995-05-03 EP disclosed
WO-1994002462-A1 4-AMINO-N^_-(4-METHYL-4-PIPERIDINYL)-2-METHOXYBENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1994-02-03 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 (3 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-10925848-B2 Amide derivative IDO1, IDO2, TPH1 ALDH1A1 750/4885KDM4E 2941/4885HPGD 550/4885
US-20160122300-A1 ACETYLCHOLINESTERASE INHIBITOR COMPOUNDS AND 5HT4 SEROTONERGIC RECEPTOR AGONISTS, WITH PROMNSIA EFFECT, METHODS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME HTR4, CHRNA4, CHRNB4 ALDH1A1 781/4885KDM4E 1600/4885HPGD 1304/4885
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A ALDH1A1 494/4885KDM4E 910/4885HPGD 589/4885

“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.