SCHEMBL5404791

SCHEMBL5404791

COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCNCC3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.75
KLKB1 P03952 1/20 0.75
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
NR4A1 P22736 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
MCL1 Q07820 1/20 0.54

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
Darexaban SCHEMBL2227024 0.85 F10 (1.00) F10KLKB1
SCHEMBL2230035 0.85 F10 (1.00) F10KLKB1
SCHEMBL5410384 0.85 F10 (0.81) F10KLKB1
SCHEMBL6645784 0.84 F10 (0.79) F10KLKB1
SCHEMBL5408827 0.82 F10 (0.77) F10KLKB1
SCHEMBL9979767 0.81 F10 (0.75) F10KLKB1
Hydrochloric Acid SCHEMBL5414495 0.81 F10 (0.75) F10KLKB1
SCHEMBL5396352 0.81 F10 (0.78) F10KLKB1
SCHEMBL5222887 0.81 F10 (0.69) F10KLKB1ALDH1A1MAPTRAB9A
SCHEMBL9979799 0.81 F10 (0.74) F10KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
EP-1415990-B1 Diazepan derivatives useful as factor X inhibitor ASTELLAS PHARMA INC (JP) 2006-09-20 EP disclosed
EP-1415990-A1 Diazepan derivatives useful as factor X inhibitor YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-05-06 EP disclosed
US-20040068109-A1 Diazepan derivatives or salts thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 US disclosed
US-6642224-B1 Diazepan derivatives or salts thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
US-20030195193-A1 Diazepane derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2003-10-16 US disclosed
EP-1273575-A1 DIAZEPANE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-01-08 EP 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-20030195193-A1 Diazepane derivatives or salts thereof F10, F11, SERPINC1 F10 1/4885KLKB1 143/4885ALDH1A1 2532/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 F10 1/4885KLKB1 158/4885ALDH1A1 2524/4885

“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.