SCHEMBL2019815

SCHEMBL2019815

CCC(CCc1nc2cc(N)ccc2n1C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.42
HDAC6 Q9UBN7 3/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.40
PTGS1 P23219 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
KDM4E B2RXH2 3/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL2017368 0.80 HDAC6 (0.55) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL12102425 0.80 HDAC6 (0.66) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL370910 0.78 NPC1 (0.43) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL29988753 0.78 HDAC6 (0.63) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL15199000 0.78 HDAC6 (0.63) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL24754664 0.76 BRD4 (0.41) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL29184736 0.76 BRD4 (0.41) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL29184721 0.76 BRD4 (0.41) ALDH1A1PKMMEN1KMT2ARECQL
SCHEMBL12388321 0.75 NPC1 (0.50) ALDH1A1PKMHDAC6NPC1RAB9A
SCHEMBL28021103 0.75 KDM4E (0.42) ALDH1A1PKMMEN1KMT2AHDAC6

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
US-9376394-B2 Preparation of bendamustine and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2016-06-28 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
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

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-20130158273-A1 PREPARATION OF BENDAMUSTINE AND ITS SALTS FOLR1, FOLR2, FLT3 ALDH1A1 746/4885PKM 1325/4885MEN1 1297/4885
US-20130217888-A1 PROCESS FOR PREPARING BENDAMUS TINE HYDROCHLORIDE MONOHYDRATE FLT3, TYMP, SBDS ALDH1A1 1939/4885PKM 837/4885MEN1 116/4885

“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.