SCHEMBL1111552

SCHEMBL1111552

N#Cc1ccc2[nH]c(C(F)(F)F)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
CYP19A1 P11511 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
KCNH2 Q12809 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KIF11 P52732 1/20 0.38
NR3C1 P04150 2/20 0.38
PGR P06401 2/20 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
SCHEMBL28129157 0.86 IMPDH2 (0.47) IMPDH2IMPDH1CYP19A1L3MBTL1DRD2
SCHEMBL13662153 0.83 IMPDH2 (0.51) IMPDH2IMPDH1CYP19A1L3MBTL1DRD2
SCHEMBL17351203 0.78 RHEB (0.36) IMPDH2IMPDH1CYP19A1DGAT1SOAT1
SCHEMBL28984930 0.77 CYP19A1 (0.56) IMPDH2IMPDH1CYP19A1DRD2DRD4
SCHEMBL12804457 0.76 NR3C1 (0.50) IMPDH2IMPDH1CYP19A1L3MBTL1DRD2
SCHEMBL28132432 0.74 LOXL2 (0.50) CYP19A1KDM4E
SCHEMBL23928867 0.73 CYP19A1 (0.56) IMPDH2IMPDH1CYP19A1DRD2DRD4
SCHEMBL19753215 0.73 CYP2A6 (0.53) KCNH2KDM4EKIF11
SCHEMBL12778108 0.73 CYP19A1 (0.56) IMPDH2IMPDH1CYP19A1DRD2DRD4
SCHEMBL21959783 0.73 KDM4E (0.60) KCNH2KDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106478500-A Carboxylic acid-substituted(Miscellaneous)Aromatic ring analog derivative and its production and use 广东东阳光药业有限公司 2017-03-08 CN disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
CN-102066356-B Indoles as modulators of nicoticic acetylcholine receptor subtype alpha-7 GLAXO GROUP LTD 2014-06-11 CN disclosed
EP-2488514-B1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LTD (GB) 2013-12-25 EP disclosed
US-8377941-B2 Indoles as modulators of nicotinic acetylcholine receptor subtype alpha-7 PROXIMAGEN LIMITED (GB) 2013-02-19 US disclosed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 US disclosed
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 EP disclosed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 EP disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 WO disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 IMPDH2 745/4885IMPDH1 587/4885CYP19A1 1779/4885
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR CHRNA7, CHRNA5, CHRNG IMPDH2 1515/4885IMPDH1 1350/4885CYP19A1 2559/4885
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 IMPDH2 975/4885IMPDH1 863/4885CYP19A1 4444/4885

“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.