SCHEMBL7909422

SCHEMBL7909422

O=C(c1cc(F)cc(I)c1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.51
HPGD P15428 11/20 0.50
ALDH1A1 P00352 1/20 0.48
MLYCD O95822 1/20 0.47
HSD11B1 P28845 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
SERPINE1 P05121 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL12547696 0.97 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL7903188 0.85 EPHX2 (0.49) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL9987747 0.81 MGLL (0.57) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL13495499 0.79 KDM4E (0.77) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL12548117 0.79 HPGD (0.74) SMN1; SMN2KDM4EHPGDALDH1A1HSD11B1
SCHEMBL12569604 0.79 HPGD (0.74) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL18734483 0.78 HPGD (0.57) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL12547973 0.76 HPGD (0.69) SMN1; SMN2KDM4EHPGDALDH1A1HSD11B1
SCHEMBL12569385 0.76 HPGD (0.69) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD
SCHEMBL1934997 0.76 SCN5A (0.51) SMN1; SMN2KDM4EHPGDALDH1A1MLYCD

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 11 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-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-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
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

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 SMN1; SMN2 1538/4885KDM4E 773/4885HPGD 3092/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 SMN1; SMN2 1538/4885KDM4E 773/4885HPGD 3092/4885

“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.