SCHEMBL5821050

SCHEMBL5821050

CCC(NCCNC(=O)O)c1nc(C(F)(F)F)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.42
MAPT P10636 1/20 0.39
DGAT1 O75907 1/20 0.35
PIK3CD O00329 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CASR P41180 1/20 0.34
PPARG P37231 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ITGB7 P26010 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6515882 0.86 KIF11 (0.38) KIF11MAPTPIK3CDHDAC1HDAC6
SCHEMBL5764538 0.79 HPGD (0.39) KIF11MAPTCASRKDM4EALDH1A1
SCHEMBL5821082 0.72 KIF11 (0.55) KIF11
SCHEMBL5899025 0.70 KIF11 (0.43) KIF11MAPTNPSR1
SCHEMBL4039832 0.69 KIF11 (0.48) KIF11MAPTKDM4ENPSR1
SCHEMBL5532768 0.68 KIF11 (0.47) KIF11KDM4E
SCHEMBL6532768 0.68 P2RX7 (0.36) KIF11MAPTLMNAKDM4EALDH1A1
SCHEMBL6518712 0.68 KIF11 (0.54) KIF11
SCHEMBL6513048 0.67 KIF11 (0.53) KIF11
SCHEMBL5100450 0.66 MEN1 (0.45) KIF11MAPTKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509507-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-09-13 EP disclosed
US-20050234080-A1 Mitotic kinesin inhibitors COLEMAN PAUL J 2005-10-20 US disclosed
EP-1509507-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2005-03-02 EP disclosed
WO-2003099211-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-12-04 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-20050234080-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIFC1 KIF11 9/4885MAPT 336/4885DGAT1 2930/4885

“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.