SCHEMBL2991148

SCHEMBL2991148

O=C(OCc1ccccc1)c1cccc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
HPD P32754 6/20 0.53
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
SGMS2 Q8NHU3 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL2986814 0.89 HPD (0.57) HPDALDH1A1KMT2AMEN1CTSV
SCHEMBL26604443 0.88 KMT2A (0.54) HPDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30662860 0.88 KMT2A (0.54) HPDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9671326 0.85 HPD (0.54) HTTHPDALDH1A1KMT2AMEN1
SCHEMBL15013285 0.83 MAPT (0.55) HPDALDH1A1TDP1KMT2AMEN1
SCHEMBL17739312 0.83 HPD (0.47) HTTHPDALDH1A1TDP1RAB9A
SCHEMBL4415350 0.81 HTT (0.75) HTTALDH1A1TDP1RAB9AKMT2A
SCHEMBL9574717 0.80 HTT (0.73) HTTALDH1A1TDP1KMT2AMEN1
SCHEMBL1121791 0.79 HPD (0.49) HPDALDH1A1TDP1KMT2AMEN1
SCHEMBL21022925 0.79 ALDH1A1 (0.59) HTTALDH1A1TDP1RAB9AKMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761025-B PDIA4 inhibitors and their use for inhibiting beta cell pathologies and for treating diabetes 施明哲 2024-03-12 CN disclosed
CN-114761025-A PDIA4 inhibitor and application thereof in inhibiting beta cell pathology and treating diabetes 施明哲 2022-07-15 CN 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-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
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
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 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 HTT 2531/4885HPD 461/4885ALDH1A1 2532/4885
US-20040077555-A1 Substituted benzene derivatives or salts thereof F12, F2, HABP2 HTT 3451/4885HPD 388/4885ALDH1A1 1949/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 HTT 2368/4885HPD 268/4885ALDH1A1 2524/4885
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 HTT 3785/4885HPD 285/4885ALDH1A1 2241/4885

“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.