SCHEMBL5402643

SCHEMBL5402643

O=C1CCOc2c(OC(F)F)cc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GRM5 P41594 1/20 0.33
HTT P42858 1/20 0.33
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL12316702 0.86 LMNA (0.37) MAOBLMNAMAPTMEN1KMT2A
SCHEMBL5407585 0.83 PDE4B (0.31) LMNAMAPTMEN1KMT2AHTT
SCHEMBL7448616 0.83 MEN1 (0.33) LMNAMAPTMEN1KMT2AHTT
SCHEMBL12316691 0.81 LMNA (0.49) MAOBLMNAMAPTGRM5VHL
SCHEMBL5410275 0.80 MAOB (0.34) MAOBLMNAMAPTMEN1KMT2A
SCHEMBL12316789 0.78 PDE4B (0.45) MAOBLMNAMAPTGRM5MAOA
SCHEMBL5400102 0.77 DRD1 (0.37) MAOBLMNAMAPTGRM5MAOA
SCHEMBL14053377 0.75 NOTUM (0.42) MAOBLMNAMAPTMEN1KMT2A
SCHEMBL12316748 0.75 PDE4A (0.38) MAOBMEN1KMT2AL3MBTL1
SCHEMBL30543406 0.75 MEN1 (0.46) MAOBLMNAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-7241757-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2007-07-10 US disclosed
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2004-09-23 US disclosed
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US disclosed
EP-1140820-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1140820-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000035869-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-06-22 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-20070249578-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, TFPI MAOB 435/4885LMNA 1125/4885MAPT 4846/4885
US-20040186090-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 MAOB 427/4885LMNA 976/4885MAPT 4838/4885

“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.