SCHEMBL942894

SCHEMBL942894

CC(C)(C)ON(C=O)CCC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
NR4A2 P43354 1/20 0.42
EGFR P00533 2/20 0.41
ALDH1A1 P00352 3/20 0.39
HDAC1 Q13547 2/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL28756705 0.92 L3MBTL1 (0.47) KMT2ATDP1L3MBTL1MAPTLMNA
SCHEMBL941122 0.85 ALDH1A1 (0.43) KMT2ATDP1L3MBTL1MAPTLMNA
SCHEMBL3903619 0.77 TSHR (0.36) ALDH1A1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6949347 0.75 TAAR1 (0.44) KMT2ATDP1L3MBTL1NPC1RAB9A
SCHEMBL28800195 0.74 KMT2A (0.68) KMT2ATDP1L3MBTL1MAPTLMNA
SCHEMBL5741195 0.72 ALDH1A1 (0.41) KMT2AMAPTNR4A2ALDH1A1MEN1
SCHEMBL21848475 0.72 KMT2A (0.58) KMT2ATDP1L3MBTL1MAPTLMNA
SCHEMBL4522063 0.71 SLC22A6 (0.39) KMT2ATDP1LMNAALDH1A1CYP2C19
SCHEMBL6226972 0.71 HDAC1 (0.44) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL5604152 0.70 MEP1B (0.46) RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 US disclosed
US-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 US disclosed
US-7851635-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-12-14 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
CN-1802361-A M-stage kinesin inhibitor KYOWA HAKKO KOGYO KK (JP) 2006-07-12 CN disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP 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 (3 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-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885TDP1 1281/4885L3MBTL1 1513/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885TDP1 1281/4885L3MBTL1 1513/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885TDP1 1281/4885L3MBTL1 1513/4885

“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.