SCHEMBL3924432

SCHEMBL3924432

COC(=O)Nc1cc(F)c(Br)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SOS1 Q07889 1/20 0.35
KCNK2 O95069 1/20 0.35
KCNK10 P57789 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KIF11 P52732 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
HTT P42858 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3936374 0.86 HPGD (0.46) NPC1RAB9AHPGDNPSR1GAA
SCHEMBL3935331 0.84 HTT (0.42) RAB9AHPGDNPSR1SMN1; SMN2CYP3A4
SCHEMBL20847860 0.82 HPGD (0.46) NPC1RAB9AHPGDNPSR1SMN1; SMN2
SCHEMBL3927038 0.82 HPGD (0.46) NPC1RAB9AHPGDNPSR1GAA
SCHEMBL849646 0.82 HPGD (0.46) NPC1RAB9AHPGDSMN1; SMN2CYP3A4
SCHEMBL18190692 0.81 NPC1 (0.45) NPC1RAB9AHPGDGAASMN1; SMN2
SCHEMBL1397668 0.81 HPGD (0.41) NPC1RAB9AHPGDNPSR1SMN1; SMN2
SCHEMBL879697 0.80 NOTUM (0.46) NPC1RAB9AHPGDNPSR1SMN1; SMN2
SCHEMBL25159676 0.79 AAK1 (0.46) NPC1RAB9ASMN1; SMN2AAK1HTT
SCHEMBL29395253 0.79 AAK1 (0.46) NPC1RAB9ASMN1; SMN2AAK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107635970-B Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-03-12 CN disclosed
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
WO-2009007259-A1 PROCESS FOR THE PREPARATION OF AN INDOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-15 WO disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
US-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2009-01-08 US disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP disclosed
EP-2011783-A1 Process for the preparation of an indole derivative F. HOFFMANN-LA ROCHE AG (CH) 2009-01-07 EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002051844-A1 INDOLE DERIVATIVES AND THEIR USE AS 5-HT2B AND 5-HT2C RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 WO disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (5 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-20090012311-A1 PROCESS FOR THE PREPARATION OF INDOLE DERIVATIVES IDO1, IDO2, TPH1 NPC1 2444/4885RAB9A 1902/4885HPGD 158/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 NPC1 107/4885RAB9A 3381/4885HPGD 1383/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A NPC1 627/4885RAB9A 1839/4885HPGD 2929/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 NPC1 171/4885RAB9A 1287/4885HPGD 63/4885
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 NPC1 144/4885RAB9A 2320/4885HPGD 204/4885

“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.