SCHEMBL2989712

SCHEMBL2989712

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
XBP1 P17861 1/20 0.53
PPARG P37231 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
SGMS2 Q8NHU3 3/20 0.53
HPD P32754 1/20 0.52
LRRK2 Q5S007 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL2990105 0.88 KMT2A (0.57) KMT2ATDP1RXFP1SGMS2LRRK2
SCHEMBL14345367 0.85 RAB9A (0.60) KMT2ATDP1XBP1PPARGNPSR1
SCHEMBL2978677 0.80 KMT2A (0.58) KMT2ATDP1XBP1PPARGNPSR1
SCHEMBL2986814 0.78 HPD (0.57) KMT2ASGMS2HPDMEN1ALDH1A1
SCHEMBL890832 0.76 KDM4E (0.73) KMT2ATDP1RXFP1NPC1RAB9A
SCHEMBL30662860 0.75 KMT2A (0.54) KMT2ASGMS2HPDMEN1ALDH1A1
SCHEMBL26604443 0.75 KMT2A (0.54) KMT2ASGMS2HPDMEN1ALDH1A1
SCHEMBL9671326 0.74 HPD (0.54) KMT2ASGMS2HPDNPC1MEN1
SCHEMBL4870470 0.74 HPD (0.64) HPDNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2991148 0.73 HTT (0.53) KMT2ATDP1NPSR1SGMS2HPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 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
US-20040077555-A1 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-04-22 US disclosed
EP-1336605-A1 SUBSTITUTED BENZENE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-20 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-20040077555-A1 Substituted benzene derivatives or salts thereof F12, F2, HABP2 KMT2A 3115/4885TDP1 1671/4885XBP1 1022/4885
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 2322/4885TDP1 645/4885XBP1 168/4885

“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.