SCHEMBL2989305

SCHEMBL2989305

Nc1c(O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX15 P16050 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
F10 P00742 7/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
SORT1 Q99523 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
BRD4 O60885 1/20 0.51
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PTK2 Q05397 1/20 0.50

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
SCHEMBL9976445 0.88 RAB9A (0.57) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL2983083 0.88 SORT1 (0.53) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL2984797 0.88 SORT1 (0.62) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL6592032 0.88 RAB9A (0.56) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL6261356 0.85 RAB9A (0.64) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL9979763 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALOX15F10
SCHEMBL6595792 0.85 F10 (0.61) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL2397278 0.84 SMN1; SMN2 (0.61) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL30472745 0.83 TMPRSS4 (0.74) RAB9AHTTNPC1SMN1; SMN2ALOX15
SCHEMBL14885955 0.83 TMPRSS4 (0.74) RAB9AHTTNPC1SMN1; SMN2ALOX15

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 24 patents — showing the first 20. 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-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 US disclosed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 US disclosed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 US disclosed
US-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 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-1336605-B1 SUBSTITUTED PHENOL DERIVATIVES OR SALTS THEREOF AS INHIBITORS OF COAGULATION FACTOR X ASTELLAS PHARMA INC (JP) 2006-04-12 EP disclosed
EP-1415990-A1 Diazepan derivatives useful as factor X inhibitor YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-05-06 EP disclosed
US-20040077555-A1 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-04-22 US 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-1336605-A1 SUBSTITUTED BENZENE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-20 EP 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 (4 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 RAB9A 2974/4885HTT 2531/4885NPC1 3193/4885
US-20040077555-A1 Substituted benzene derivatives or salts thereof F12, F2, HABP2 RAB9A 3429/4885HTT 3451/4885NPC1 4241/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 RAB9A 2981/4885HTT 2368/4885NPC1 3052/4885
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism PLG, MGAT3, F11 RAB9A 3237/4885HTT 3785/4885NPC1 2836/4885

“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.