SCHEMBL1483909

SCHEMBL1483909

N=C(NO)c1ccc(N)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MASP2 O00187 1/20 0.31
PLAU P00749 1/20 0.31
THPO P40225 1/20 0.31
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL6615623 0.78 ALDH1A1 (0.53) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL1483888 0.77 PRMT1 (0.46) ADRA2AADRA2BADRA2CCA12CA1
SCHEMBL4731192 0.76 P4HTM (0.36) HDAC1HDAC6KDM4EALDH1A1
SCHEMBL26697541 0.76 HDAC1 (0.47) HDAC1HDAC6PTGS1KDM4EALDH1A1
SCHEMBL4586297 0.76 MAOB (0.45) ADRA2AADRA2BADRA2CPLAU
SCHEMBL7481552 0.76 HDAC3 (0.38) HDAC1HDAC6THPOKDM4EALDH1A1
Hydrochloric Acid SCHEMBL16571562 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA2CCA12CA1
SCHEMBL1726670 0.73 HDAC1 (0.36) HDAC1HDAC6
SCHEMBL22583342 0.73 P4HTM (0.40) CA12CA1CA2CA7CA9
SCHEMBL22396435 0.72 P4HTM (0.63) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8314103-B2 Pyridyl derivatives, their preparation and use Piramal Enterprises Limited (IN) 2012-11-20 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-03-31 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2009019656-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-12 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ADRA2A 4064/4885ADRA2B 4185/4885ADRA2C 4570/4885
US-20110077252-A1 PYRIDYL DERIVATIVES, THEIR PREPARATION AND USE HIF1AN, HIF1A, MTOR ADRA2A 2482/4885ADRA2B 3017/4885ADRA2C 2904/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ADRA2A 4064/4885ADRA2B 4185/4885ADRA2C 4570/4885

“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.