SCHEMBL5062846

SCHEMBL5062846

O=CC1=NN(c2cccc(F)c2)CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
FADS1 O60427 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL14275213 0.86 KDM1A (0.42) MAPTGFERALDH1A1GAAKDM4E
SCHEMBL14305878 0.81 MAPT (0.43) MAPTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5057748 0.78 KIF11 (0.43) MAPTLMNAGFERSLC6A2SLC6A4
SCHEMBL14275236 0.76 SLC6A2 (0.40) MAPTLMNAGFERSLC6A2SLC6A4
SCHEMBL28765011 0.75 RIPK1 (0.41) MAPTLMNAGFERSLC6A2SLC6A4
SCHEMBL14305875 0.74 ALDH1A1 (0.44) MAPTSLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL5061808 0.69 GFER (0.43) MAPTLMNAGFERSLC6A2SLC6A4
SCHEMBL11063972 0.64 ALOX5 (0.42) FADS1L3MBTL1ALOX5MEN1KMT2A
SCHEMBL29458508 0.64 FADS1 (0.44) MAPTLMNAGFERSLC6A2SLC6A4
SCHEMBL2864527 0.62 KDM1A (0.53) MAPTGFERALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045492-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-20080045492-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
US-20080045492-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-02-21 US disclosed
EP-1831176-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-09-12 EP disclosed
WO-2006068933-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2006-06-29 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-20080045492-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF23 MAPT 214/4885LMNA 3156/4885GFER 4746/4885

“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.