SCHEMBL6874430

SCHEMBL6874430

Nc1cc(N2CCCC2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 0.61
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 4/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 2/20 0.56
ALOX15 P16050 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
PKM P14618 1/20 0.56
IP6K1 Q92551 2/20 0.50
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL24196423 0.98 S100B (0.65) S100BALDH1A1LMNAHTTMAPT
SCHEMBL22289269 0.84 ALDH1A1 (0.61) S100BALDH1A1LMNAHTTMAPT
SCHEMBL24196401 0.83 MAPT (0.56) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL2087889 0.83 LGMN (0.62) S100BALDH1A1LMNAHTTMAPT
SCHEMBL29710195 0.83 LGMN (0.62) S100BALDH1A1LMNAHTTMAPT
SCHEMBL24195925 0.83 MAPT (0.62) ALDH1A1LMNAHTTMAPTGAA
SCHEMBL1127082 0.82 ALDH1A1 (0.65) S100BALDH1A1LMNAHTTMAPT
SCHEMBL7372826 0.81 MAPT (0.68) S100BALDH1A1LMNAHTTMAPT
SCHEMBL31361984 0.81 MAPT (0.68) S100BALDH1A1LMNAHTTMAPT
SCHEMBL2933216 0.81 LMNA (0.51) S100BALDH1A1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275639-A1 C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-11-10 US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 WO disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 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-20110275639-A1 C5aR ANTAGONISTS C5AR1, C5AR2, C3AR1 S100B 2307/4885ALDH1A1 2966/4885LMNA 2969/4885

“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.