SCHEMBL2171040

SCHEMBL2171040

COC(=O)CCCC(=O)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPT P10636 6/20 0.50
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
PTPN1 P18031 1/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL15106860 0.90 MAPT (0.61) ALDH1A1TDP1MAPTCYP1A2KDM4E
SCHEMBL2129946 0.82 ALDH1A1 (0.61) ALDH1A1TDP1MAPTCYP1A2KDM4E
Hydrochloric Acid SCHEMBL29113808 0.81 MEN1 (0.45) ALDH1A1CYP1A2MEN1KMT2ATRPV1
SCHEMBL2169866 0.81 MAPT (0.61) ALDH1A1MAPTCYP1A2KDM4EMEN1
SCHEMBL29777188 0.78 CYP1A2 (0.68) ALDH1A1TDP1MAPTCYP1A2KDM4E
SCHEMBL2133926 0.78 CYP1A2 (0.68) ALDH1A1TDP1MAPTCYP1A2KDM4E
SCHEMBL16433384 0.75 ALDH1A1 (0.51) ALDH1A1TDP1MAPTCYP1A2KDM4E
SCHEMBL162760 0.74 MAPT (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2171042 0.74 MAPT (0.50) ALDH1A1TDP1MAPTCYP1A2KDM4E
SCHEMBL3659178 0.74 ALDH1A1 (0.57) ALDH1A1TDP1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346836-B1 PROCESSES FOR THE PREPARATION OF BENDAMUSTINE CEPHALON INC (US) 2018-03-07 EP disclosed
US-8420829-B2 Processes for the preparation of bendamustine CEPHALON, INC. (US) 2013-04-16 US disclosed
US-20110190509-A1 Processes for the Preparation of Bendamustine CEPHALON, INC. (US) 2011-08-04 US disclosed
EP-2346836-A1 PROCESSES FOR THE PREPARATION OF BENDAMUSTINE Cephalon, Inc. (US) 2011-07-27 EP disclosed
WO-2010042568-A1 PROCESSES FOR THE PREPARATION OF BENDAMUSTINE CEPHALON, INC. (US) 2010-04-15 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 (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-20110190509-A1 Processes for the Preparation of Bendamustine THPO, FOLR1, FOLR2 ALDH1A1 745/4885TDP1 2128/4885MAPT 976/4885

“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.