SCHEMBL1459581

SCHEMBL1459581

FC(F)(F)c1[c]ccc(N2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
PDK2 Q15119 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TERT O14746 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
S100B P04271 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1D P28221 1/20 0.36

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
SCHEMBL1899182 0.98 PDK2 (0.39) ARPDK2LMNAMAPK1HTT
SCHEMBL28701655 0.85 SIRT6 (0.46) PDK2MAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL27993852 0.85 LMNA (0.42) PDK2LMNAMAPK1HTTSMN1; SMN2
SCHEMBL28701674 0.82 CTSS (0.34) LMNASMN1; SMN2ALDH1A1MAPTHTR3E
SCHEMBL28708992 0.81 CHRNA7 (0.46) SMN1; SMN2ALDH1A1MAPTGAASIGMAR1
SCHEMBL28685696 0.81 MAPT (0.44) SMN1; SMN2ALDH1A1MAPTPKMKDM4E
SCHEMBL28698178 0.79 DRD2 (0.49) SMN1; SMN2ALDH1A1GAASIGMAR1KDM4E
SCHEMBL28689807 0.79 AR (0.38) ARMAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL28685736 0.78 IGF1R (0.38) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL27993873 0.76 CCR6 (0.37) ARPDK2LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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 (1 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E AR 664/4885PDK2 2078/4885LMNA 2616/4885

“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.