SCHEMBL4005263

SCHEMBL4005263

CC(C)(C)C(=O)Nc1ncc(C(F)(F)F)cc1I

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDR P35968 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
AGBL2 Q5U5Z8 1/20 0.39
SORT1 Q99523 1/20 0.39
MAPK1 P28482 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
SCHEMBL21598618 0.82 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL5218067 0.82 SYK (0.39) SMN1; SMN2ALDH1A1MAPTL3MBTL1GAA
SCHEMBL29955740 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL1560993 0.77 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL23628498 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL29572157 0.72 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4EMAPTGAA
SCHEMBL21598601 0.71 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL18668393 0.71 CA2 (0.48) SMN1; SMN2ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL29572192 0.71 CA2 (0.48) SMN1; SMN2ALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL3928750 0.71 RAB9A (0.58) SMN1; SMN2ALDH1A1MAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101490055-B Spirocyclic azaindole derivatives GRUENENTHAL GMBH 2013-10-16 CN disclosed
EP-2041142-B1 SPIROCYCLIC AZAINDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed
US-8399503-B2 Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
CN-101490055-A Spirocyclic azaindole derivatives GRUENENTHAL GMBH (DE) 2009-07-22 CN disclosed
US-20090156593-A1 Spirocyclic Azaindole Derivatives GRUNENTHAL GMBH (DE) 2009-06-18 US disclosed
EP-2041142-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-04-01 EP disclosed
WO-2008009416-A1 SPIROCYCLIC AZAINDOLE DERIVATIVES Grünenthal GmbH (DE) 2008-01-24 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 (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-20090156593-A1 Spirocyclic Azaindole Derivatives AZI2, TPMT, AADAC SMN1; SMN2 4555/4885ALDH1A1 709/4885KDM4E 2423/4885

“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.