SCHEMBL941122

SCHEMBL941122

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
AGTR1 P30556 1/20 0.43
USP2 O75604 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 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
SCHEMBL942894 0.85 KMT2A (0.53) ALDH1A1MAPTKDM4EUSP2HTT
SCHEMBL6226972 0.85 HDAC1 (0.44) ALDH1A1MAPTKDM4EAGTR1HTT
SCHEMBL28756705 0.82 L3MBTL1 (0.47) MAPTKMT2AMEN1TDP1NPC1
SCHEMBL17183945 0.79 L3MBTL1 (0.38) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL28017685 0.73 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EAGTR1USP2
SCHEMBL5604152 0.73 MEP1B (0.46) SMN1; SMN2RAB9A
SCHEMBL12559833 0.72 MAPT (0.52) ALDH1A1MAPTKDM4EAGTR1USP2
SCHEMBL11452194 0.72 AKR1B1 (0.41) TDP1HPGDL3MBTL1CYP2C19
SCHEMBL11288690 0.71 GSK3B (0.62) ALDH1A1MAPTKDM4EAGTR1USP2
SCHEMBL11890414 0.71 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EAGTR1USP2

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 13 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
EP-2327702-B1 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-29 EP disclosed
EP-1616866-B1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2011-12-14 EP 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-20070276017-A1 Thiadiazoline Derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-11-29 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
US-20070112044-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-17 US disclosed
EP-1671957-A1 THIADIAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-06-21 EP disclosed
EP-1632484-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-08 EP 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 (5 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 ALDH1A1 2889/4885MAPT 254/4885KDM4E 1120/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885MAPT 254/4885KDM4E 1120/4885
US-20070276017-A1 Thiadiazoline Derivative BRD7, NR3C2, NR5A2 ALDH1A1 1571/4885MAPT 3490/4885KDM4E 3163/4885
US-20070112044-A1 Thiadiazoline derivative TLK2, TLK1, BRWD1 ALDH1A1 278/4885MAPT 4054/4885KDM4E 2739/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885MAPT 254/4885KDM4E 1120/4885

“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.