SCHEMBL2990105

SCHEMBL2990105

O=C(Nc1ccc(Cl)cn1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 6/20 0.57
SGMS2 Q8NHU3 3/20 0.53
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 3/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL2989712 0.88 KMT2A (0.55) KMT2AMEN1SGMS2RAB9ASMN1; SMN2
SCHEMBL6107601 0.85 RAB9A (0.60) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL6108817 0.81 RAB9A (0.57) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL6108434 0.79 RAB9A (0.69) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL2986814 0.78 HPD (0.57) KMT2AMEN1SGMS2ALDH1A1
SCHEMBL9671326 0.77 HPD (0.54) KMT2AMEN1SGMS2NPC1HTT
SCHEMBL2438920 0.76 KDM4E (0.73) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL30662860 0.75 KMT2A (0.54) KMT2AMEN1SGMS2SMN1; SMN2ALDH1A1
SCHEMBL26604443 0.75 KMT2A (0.54) KMT2AMEN1SGMS2SMN1; SMN2ALDH1A1
SCHEMBL2991148 0.73 HTT (0.53) KMT2AMEN1SGMS2RAB9ASMN1; SMN2

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 26 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
EP-1336605-B1 SUBSTITUTED PHENOL DERIVATIVES OR SALTS THEREOF AS INHIBITORS OF COAGULATION FACTOR X ASTELLAS PHARMA INC (JP) 2006-04-12 EP disclosed
CN-1226292-C Diazesuberane derivant or its salt YAMANOUCHI PHARMA CO LTD (JP) 2005-11-09 CN 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
CN-1319594-A Diazesuberane derivant or its salt YAMANOUCHI PHARMA CO LTD (JP) 2001-10-31 CN 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 KMT2A 364/4885MEN1 449/4885SGMS2 3712/4885
US-20040077555-A1 Substituted benzene derivatives or salts thereof F12, F2, HABP2 KMT2A 3115/4885MEN1 4265/4885SGMS2 3382/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 KMT2A 401/4885MEN1 440/4885SGMS2 3843/4885
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 KMT2A 2322/4885MEN1 3776/4885SGMS2 3941/4885

“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.