SCHEMBL2447573

SCHEMBL2447573

CCOC(=O)CCCc1nc2c(C)c(N(CCCl)CCCl)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CHEK1 O14757 1/20 0.43
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CACNA1G O43497 2/20 0.35
ALOX15 P16050 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2721453 0.91 MAPT (0.46) MAPTCHEK1ALOX5SMN1; SMN2CYP1A2
SCHEMBL1920686 0.87 ALDH1A1 (0.44) MAPTCHEK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2451575 0.83 ALDH1A1 (0.41) MAPTSMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL16845614 0.78 MAPT (0.52) MAPTALDH1A1HSD17B10PDE3BPDE3A
SCHEMBL2448392 0.77 ALDH1A1 (0.43) MAPTCHEK1CYP1A2CYP2C9CYP2C19
SCHEMBL14833991 0.77 HDAC6 (0.62) MAPTSMN1; SMN2CYP2D6ALDH1A1PDE3B
SCHEMBL16054935 0.75 MAPT (0.45) MAPTCHEK1ALOX5SMN1; SMN2CYP1A2
SCHEMBL8552595 0.71 RAB9A (0.42) MAPTCHEK1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL12634224 0.69 HDAC6 (0.46) MAPTSMN1; SMN2CYP2D6ALDH1A1HSD17B10
SCHEMBL15442916 0.69 MAPT (0.51) MAPTALOX5SMN1; SMN2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10485787-B2 Oral dosage forms of bendamustine and therapeutic use thereof ASTELLAS DEUTSCHLAND GMBH (DE) 2019-11-26 US disclosed
US-20150258070-A1 Oral Dosage Forms of Bendamustine and Therapeutic Use Thereof ASTELLAS DEUTSCHLAND GMBH (DE) 2015-09-17 US disclosed
EP-2575784-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE Astellas Deutschland GmbH (DE) 2013-04-10 EP disclosed
EP-2575785-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE AND THERAPEUTIC USE THEREOF Astellas Deutschland GmbH (DE) 2013-04-10 EP disclosed
EP-2367542-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE Astellas Deutschland GmbH (DE) 2011-09-28 EP disclosed
EP-2367538-A2 SOLID DOSAGE FORMS OF BENDAMUSTINE Astellas Deutschland GmbH (DE) 2011-09-28 EP disclosed
WO-2010063493-A1 ORAL DOSAGE FORMS OF BENDAMUSTINE ASTELLAS DEUTSCHLAND GMBH (DE) 2010-06-10 WO disclosed
WO-2010063476-A2 SOLID DOSAGE FORMS OF BENDAMUSTINE ASTELLAS DEUTSCHLAND GMBH (DE) 2010-06-10 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 (2 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-10485787-B2 Oral dosage forms of bendamustine and therapeutic use thereof MCL1, BCL9, BCL9L MAPT 1545/4885CHEK1 1943/4885ALOX5 438/4885
US-20150258070-A1 Oral Dosage Forms of Bendamustine and Therapeutic Use Thereof MCL1, BCL9, BCL9L MAPT 1545/4885CHEK1 1943/4885ALOX5 438/4885

“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.