SCHEMBL9972864

SCHEMBL9972864

CC(C)OCCN(C)CCCl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
HBB P68871 1/20 0.52
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3CD O00329 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL13303931 0.88 PIK3CD (0.42) MAPTLMNATP53TSHRHTT
SCHEMBL13303937 0.79 MAPT (0.46) MAPTLMNATP53TSHRHTT
SCHEMBL13934508 0.79 CA12 (0.52) LMNATSHRHTTPIK3CDSLC6A2
SCHEMBL14402195 0.79 PIK3CD (0.58) PIK3CDSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL15308459 0.79 PIK3CD (0.37) PIK3CDSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL15682759 0.77 SLC29A1 (0.37) MAPTLMNAMEN1KMT2APIK3CD
SCHEMBL22510247 0.77 SLC6A2 (0.39) PIK3CDSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL25567925 0.77 PIK3CD (0.45) PIK3CDSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL25101936 0.77 SIGMAR1 (0.39) PIK3CDSLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL9972861 0.77 MAPT (0.48) MAPTLMNATP53TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME ACTELION PHARMACEUTICALS, LTD. (CH) 2014-07-03 US disclosed
US-8501818-B2 Stabilized compositions of alkylating agents and methods of using same CEPTARIS THERAPEUTICS, INC. (US) 2013-08-06 US disclosed
US-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH CEPTARIS THERAPEUTICS, INC. (US) 2013-07-18 US disclosed
WO-2013009800-A2 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH CEPTARIS THERAPEUTICS, INC. (US) 2013-01-17 WO disclosed
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS ACTELION PHARMACEUTICALS, LTD. (CH) 2012-06-21 US disclosed
US-20110039943-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS ACTELION PHARMACEUTICALS, LTD. (CH) 2011-02-17 US disclosed
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME HELSINN HEALTHCARE SA (CH) 2010-06-17 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 (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-20110039943-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 MAPT 1744/4885LMNA 2387/4885TP53 1167/4885
US-20100152300-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 MAPT 2619/4885LMNA 2236/4885TP53 22/4885
US-20130184243-A1 COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF TREATING SKIN DISORDERS THEREWITH MGMT, UNG, OGG1 MAPT 3685/4885LMNA 2267/4885TP53 21/4885
US-20140187810-A1 STABILIZED COMPOSITIONS OF ALKYLATING AGENTS AND METHODS OF USING SAME MGMT, UNG, ERCC5 MAPT 2619/4885LMNA 2236/4885TP53 22/4885
US-20120157545-A1 METHODS FOR TREATING SKIN DISORDERS WITH TOPICAL NITROGEN MUSTARD COMPOSITIONS S100A8, CUTA, S100A4 MAPT 1744/4885LMNA 2387/4885TP53 1167/4885

“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.