SCHEMBL2016350

SCHEMBL2016350

CC(C)OC(=O)CCCc1nc2cc(N)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
ALOX15 P16050 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC6 Q9UBN7 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
PTGS1 P23219 1/20 0.46
HDAC10 Q969S8 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 2/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL2171116 0.87 HDAC6 (0.48) MAPTHDAC6HDAC1HDAC3HDAC4
SCHEMBL15043387 0.86 HDAC6 (0.41) MAPTALOX15CASP1CASP7HSD17B10
Hydrochloric Acid SCHEMBL2171109 0.86 HDAC6 (0.47) MAPTHSD17B10HDAC6HDAC1HDAC3
SCHEMBL10021006 0.85 TNF (0.52) MAPTHDAC6HDAC1HDAC3HDAC4
SCHEMBL15436877 0.84 HDAC1 (0.44) MAPTHDAC6HDAC1HDAC3HDAC4
SCHEMBL29988753 0.83 HDAC6 (0.63) MAPTCASP1HSD17B10HDAC6HDAC1
SCHEMBL15199000 0.83 HDAC6 (0.63) MAPTCASP1HSD17B10HDAC6HDAC1
SCHEMBL15199001 0.83 ALDH1A1 (0.55) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2015553 0.81 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14816586 0.81 TNF (0.50) MAPTHDAC6HDAC1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 US disclosed
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 US disclosed
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 US disclosed
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate SHILPA MEDICARE LTD (IN) 2015-06-25 US disclosed
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate SHILPA MEDICARE LTD (IN) 2015-06-25 US disclosed
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE SHAILPA MEDICARE LIMITED (IN) 2013-08-22 US disclosed
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE SHAILPA MEDICARE LIMITED (IN) 2013-08-22 US disclosed
US-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. (US) 2013-06-20 US disclosed
US-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES, INC. (US) 2013-06-20 US disclosed
EP-2516404-A2 PREPARATION OF BENDAMUSTINE AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2012-10-31 EP disclosed
WO-2011079193-A2 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2011-06-30 WO disclosed
WO-2011079193-A2 PREPARATION OF BENDAMUSTINE AND ITS SALTS DR. REDDY'S LABORATORIES LTD. (IN) 2011-06-30 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 (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-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS FOLR1, FOLR2, FLT3 MAPT 466/4885ALOX15 4788/4885CASP1 1031/4885
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE FLT3, TYMP, SBDS MAPT 44/4885ALOX15 4871/4885CASP1 1096/4885
US-20150175554-A1 Highly pure bendamustine hydrochloride monohydrate BHMT, FOLR2, SMCHD1 MAPT 109/4885ALOX15 4708/4885CASP1 948/4885

“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.