SCHEMBL940512

SCHEMBL940512

CN(C)C(=O)CCC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
NR4A2 P43354 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 5/20 0.55
GAA P10253 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK1 P28482 3/20 0.52
USP2 O75604 2/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CTNNB1 P35222 1/20 0.52
WNT3A P56704 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HDAC1 Q13547 2/20 0.50

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
SCHEMBL14380365 0.87 L3MBTL1 (0.71) KMT2ANR4A2L3MBTL1MAPTLMNA
SCHEMBL30121738 0.82 NR4A2 (0.85) KMT2ANR4A2L3MBTL1MAPTLMNA
SCHEMBL719034 0.82 NR4A2 (0.85) KMT2ANR4A2L3MBTL1MAPTLMNA
SCHEMBL16922186 0.82 KMT2A (0.63) KMT2AMAPTLMNAALDH1A1POLB
SCHEMBL4883159 0.82 KMT2A (0.63) KMT2AMAPTLMNAALDH1A1POLB
SCHEMBL940699 0.82 KMT2A (0.56) KMT2ANR4A2L3MBTL1MAPTLMNA
SCHEMBL1199754 0.82 KMT2A (0.64) KMT2ANR4A2L3MBTL1MAPTLMNA
SCHEMBL3966037 0.81 NPC1 (0.60) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL30552473 0.78 MMP1 (0.61) KMT2AL3MBTL1MAPTLMNAALDH1A1
Water SCHEMBL11401599 0.78 KMT2A (0.51) KMT2ANR4A2L3MBTL1MAPTLMNA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788042-A1 BCL-2 INHIBITORS BeiGene, Ltd. (KY) 2021-03-10 EP disclosed
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-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US 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-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 US disclosed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 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-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
CN-1617864-A thiadiazoline derivatives KYOWA HAKKO KOGYO KK (JP) 2005-05-18 CN disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP disclosed
US-6566375-B1 For therapy of atherosclerosis WYETH 2003-05-20 US disclosed
US-6316467-B1 Elevation of HDL cholesterol by 4-[(Aminothioxomethyl)-hydrazono]-N-(substituted)-4-arylbutanamides AMERICAN HOME PRODUCTS CORPORATION 2001-11-13 US disclosed
WO-1999025682-A1 ELEVATION OF HDL CHOLESTEROL BY 4-[(AMINOTHIOXOMETHYL) -HYDRAZONO] -N-(SUBSTITUTED) -4-ARYLBUTANAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-05-27 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 (6 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 KMT2A 558/4885NR4A2 1264/4885L3MBTL1 88/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885NR4A2 3983/4885L3MBTL1 1513/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 KMT2A 558/4885NR4A2 1264/4885L3MBTL1 88/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885NR4A2 3983/4885L3MBTL1 1513/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 KMT2A 665/4885NR4A2 1500/4885L3MBTL1 75/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885NR4A2 3983/4885L3MBTL1 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.