SCHEMBL1947351

SCHEMBL1947351

Nc1cc(F)c(-c2noc(=O)[nH]2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMO O15229 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 2/20 0.33
CTH P32929 1/20 0.33
ADH5 P11766 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
PARP1 P09874 1/20 0.32
RARG P13631 1/20 0.32
KCNH2 Q12809 1/20 0.31
FTO Q9C0B1 1/20 0.30

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
SCHEMBL1948155 0.79 TBK1 (0.37) DHODHALDH1A1KMOALOX5RARB
SCHEMBL12548095 0.78 TBK1 (0.36) DHODHALDH1A1KMOALOX5RARB
SCHEMBL19554382 0.78 TBK1 (0.36) DHODHALDH1A1KMOALOX5RARB
SCHEMBL23165627 0.72 ALDH1A1 (0.46) ALDH1A1KMOALOX5RARBADH5
SCHEMBL18603139 0.69 ALDH1A1 (0.49) ALDH1A1KMOALOX5RARBADH5
SCHEMBL3655441 0.69 ALDH1A1 (0.36) DHODHALDH1A1KMOALOX5RARB
Hydrochloric Acid SCHEMBL12803102 0.68 ALDH1A1 (0.55) ALDH1A1KMOALOX5RARBADH5
SCHEMBL4504146 0.68 ALDH1A1 (0.46) ALDH1A1RARBADH5PARP1
Hydrochloric Acid SCHEMBL4512162 0.67 ALDH1A1 (0.45) ALDH1A1RARBADH5PARP1
SCHEMBL12548091 0.67 ALDH1A1 (0.37) DHODHALDH1A1KMOALOX5RARB

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 19 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
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
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP 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-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-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 DHODH 1866/4885ALDH1A1 2444/4885KMO 3831/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 DHODH 1866/4885ALDH1A1 2444/4885KMO 3831/4885

“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.