SCHEMBL644854

SCHEMBL644854

CCN(CC)CCCCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
CYP1A2 P05177 1/20 0.56
LSS P48449 1/20 0.41
KDM5A P29375 2/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4A O75164 1/20 0.39
BCHE P06276 4/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL8855135 0.98 SIGMAR1 (0.66) SIGMAR1CYP1A2LSSKDM5APHF8
SCHEMBL8711529 0.98 SIGMAR1 (0.66) SIGMAR1CYP1A2LSSKDM5APHF8
SCHEMBL10324315 0.98 SIGMAR1 (0.59) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9518737 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9516763 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9246810 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9249880 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Hydrochloric Acid SCHEMBL9520541 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9249103 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8
Water SCHEMBL9246924 0.96 SIGMAR1 (0.63) SIGMAR1CYP1A2LSSKDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663400-A1 PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF W. R. Grace & Co.-Conn (US) 2013-11-20 EP claimed
WO-2012097146-A1 PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF W. R. GRACE & CO.-CONN. (US) 2012-07-19 WO claimed
WO-2008153701-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-12-18 WO claimed
EP-1707563-A2 Methods and compositions utilizing quinazolinones Cytokinetics, Inc. (US) 2006-10-04 EP claimed
EP-1686120-A2 Methods and compositions utilizing quinazolinones Cytokinetics, Inc. (US) 2006-08-02 EP claimed
US-20040023996-A1 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. 2004-02-05 US claimed
US-6562831-B1 Inhibitors of the mitotic kinesin KSP and are useful in the treatment of cellular proliferative diseases CYTOKINETICS, INC. 2003-05-13 US claimed
EP-1296959-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2003-04-02 EP claimed
WO-2001030768-A9 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS INC (US) 2002-08-15 WO claimed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 EP claimed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 WO claimed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 WO claimed
US-8658656-B2 Methods and compositions utilizing quinazolinones CYTOKINETICS, INC. (US) 2014-02-25 US disclosed
US-8633236-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2014-01-21 US disclosed
EP-2663400-A1 PROCESS OF MAKING MODIFIED METALLOCENE CATALYST, CATALYST PRODUCED AND USE THEREOF W. R. Grace & Co.-Conn (US) 2013-11-20 EP disclosed
US-8470838-B2 Quinazolinones useful for treating cellular proliferative diseases and disorders associated with KSP kinesin activity; N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide monomethanesulfonate; treating breast cancer CYTOKINETICS, INCORPORATED (US) 2013-06-25 US disclosed
WO-2003088903-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-10-30 WO disclosed
US-6630479-B1 Cell proliferative diseases and disorders associated with KSP kinesin activity CYTOKINETICS, INC. 2003-10-07 US disclosed
US-6562831-B1 Inhibitors of the mitotic kinesin KSP and are useful in the treatment of cellular proliferative diseases CYTOKINETICS, INC. 2003-05-13 US disclosed
US-6545004-B1 Treating cellular proliferative diseases and disorders associated with KSP kinesin activity. CYTOKINETICS, INC. 2003-04-08 US 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-20040023996-A1 Methods and compositions utilizing quinazolinones KIF5B, KIF5C, KIF2C SIGMAR1 3804/4885CYP1A2 3695/4885LSS 1387/4885

“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.