SCHEMBL5402070

SCHEMBL5402070

COc1ccc(C(=O)Nc2c(O)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
KCNMA1 Q12791 1/20 0.52
ALDH1A1 P00352 2/20 0.51
F10 P00742 1/20 0.50
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
TP53 P04637 2/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX5 P09917 1/20 0.48
KCNK9 Q9NPC2 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
SCHEMBL3407216 0.81 NLRP3 (0.56) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL6541728 0.80 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL5222887 0.80 F10 (0.69) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL1137359 0.80 PTPN11 (0.54) NPC1RAB9AKMT2AKCNMA1ABCB1
SCHEMBL9979791 0.79 HDAC1 (0.63) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL205172 0.77 PTPN11 (0.62) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL9507040 0.77 RAB9A (0.46) SMN1; SMN2NPC1RAB9AMAPTMAPK1
SCHEMBL9979760 0.76 F10 (0.56) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL249599 0.76 KCNMA1 (0.56) SMN1; SMN2MAPTKMT2AKCNMA1PKM
SCHEMBL7253758 0.74 KCNMA1 (0.57) KMT2ALMNAKCNMA1ALDH1A1

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 10 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 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
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
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-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 SMN1; SMN2 3538/4885NPC1 3193/4885RAB9A 2974/4885
US-20040068109-A1 Diazepan derivatives or salts thereof F10, SERPINC1, F11 SMN1; SMN2 3363/4885NPC1 3052/4885RAB9A 2981/4885

“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.