SCHEMBL5398796

SCHEMBL5398796

COc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(N4CCCNCC4)cc3)c(O)c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
NR4A1 P22736 1/20 0.51
MCL1 Q07820 1/20 0.51
F10 P00742 14/20 0.50
GAA P10253 1/20 0.47
KLKB1 P03952 1/20 0.47
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL5399635 0.99 KMT2A (0.50) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL5403408 0.83 F10 (0.51) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL5414603 0.82 F10 (0.51) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL5393256 0.81 MAPT (0.63) KMT2AALDH1A1MAPTF10KLKB1
SCHEMBL21701455 0.79 MAPT (0.57) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL5404791 0.78 F10 (0.75) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL22495337 0.75 MAPT (0.79) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL21682968 0.75 ALDH1A1 (0.56) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL21788568 0.74 ADRB1 (0.76) KMT2ARAB9AALDH1A1MAPTNR4A1
SCHEMBL5237992 0.72 ADRB1 (0.86) HTR3EHTR3BADRB1HTR3AHTR3D

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 11 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 claimed
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 claimed
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
EP-1415990-B1 Diazepan derivatives useful as factor X inhibitor ASTELLAS PHARMA INC (JP) 2006-09-20 EP disclosed
EP-1273575-B1 DIAZEPANE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2004-05-19 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 KMT2A 364/4885RAB9A 2974/4885ALDH1A1 2532/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 KMT2A 401/4885RAB9A 2981/4885ALDH1A1 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.