SCHEMBL12207461

SCHEMBL12207461

CP(N)(=O)N(CCCl)CCCl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HBB P68871 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3767794 0.78 ALDH1A1 (0.50) ALDH1A1MAPTLMNATP53TSHR
Hydrochloric Acid SCHEMBL9144470 0.76 ALDH1A1 (0.48) ALDH1A1MAPTLMNATP53TSHR
SCHEMBL15494272 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLMNATP53TSHR
Phosphoramide Mustard SCHEMBL3103104 0.74 ALDH1A1 (0.68) ALDH1A1LMNA
Phosphoramide Mustard SCHEMBL12937644 0.74 ALDH1A1 (0.68) ALDH1A1LMNA
SCHEMBL14626536 0.73 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL12207961 0.73 ALDH1A1 (0.43) ALDH1A1MAPT
Phosphoramide Mustard SCHEMBL8929440 0.72 ALDH1A1 (0.66) ALDH1A1LMNATP53TSHRHTT
SCHEMBL2788515 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4554018 0.70 TP53 (0.39) ALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167972-B1 Enzyme catalyzed therapeutic agents KIADIS PHARMA INTELLECTUAL PROPERTY B V (NL) 2017-03-08 EP disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110251159-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-7601703-B2 Enzyme catalyzed therapeutic agents CELMED ONCOLOGY (USA), INC. (CA) 2009-10-13 US disclosed
US-7419968-B1 Methods for treating therapy-resistant tumors CELMED ONCOLOGY (USA), INC. (CA) 2008-09-02 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 (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-20110251159-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP ALDH1A1 1961/4885MAPT 4228/4885LMNA 3521/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP ALDH1A1 1961/4885MAPT 4228/4885LMNA 3521/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP ALDH1A1 1961/4885MAPT 4228/4885LMNA 3521/4885

“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.