SCHEMBL1936045

SCHEMBL1936045

CCOC(=O)c1ccc(CNC)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 10/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
TLR2 O60603 1/20 0.55
NSD2 O96028 1/20 0.55
PKM P14618 1/20 0.55
MPI P34949 1/20 0.55
GRK6 P43250 1/20 0.55
RECQL P46063 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
HDAC4 P56524 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL13870635 0.85 ALDH1A1 (0.57) HTTALDH1A1LMNAL3MBTL1MAPT
SCHEMBL15893987 0.85 HTT (0.77) HTTALDH1A1LMNAMAPTKDM4E
SCHEMBL14805809 0.83 ALDH1A1 (0.58) HTTALDH1A1LMNAL3MBTL1MAPT
SCHEMBL151035 0.83 ALDH1A1 (0.60) HTTALDH1A1LMNAL3MBTL1MAPT
SCHEMBL6240522 0.81 ALDH1A1 (0.59) HTTALDH1A1LMNAL3MBTL1MAPT
SCHEMBL2093655 0.81 ALDH1A1 (0.58) HTTALDH1A1LMNAL3MBTL1MAPT
SCHEMBL10864324 0.81 ALDH1A1 (0.50) HTTALDH1A1LMNAL3MBTL1MAPT
SCHEMBL18263633 0.81 SMN1; SMN2 (0.68) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL449698 0.80 HDAC4 (0.73) ALDH1A1LMNAL3MBTL1MAPTKDM4E
SCHEMBL2181967 0.80 ALDH1A1 (0.57) HTTALDH1A1LMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (4 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B HTT 4778/4885ALDH1A1 2837/4885LMNA 981/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B HTT 4778/4885ALDH1A1 2837/4885LMNA 981/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HTT 2939/4885ALDH1A1 3283/4885LMNA 594/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HTT 3144/4885ALDH1A1 3363/4885LMNA 704/4885

“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.