SCHEMBL3666744

SCHEMBL3666744

O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCCCCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.52
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GPR35 Q9HC97 1/20 0.47
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KAT2B Q92831 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL3664450 0.93 GPR35 (0.50) GSTM2MAPTTDP1MEN1KMT2A
SCHEMBL3669432 0.86 RAB9A (0.57) MAPTTDP1MEN1KMT2AGPR35
SCHEMBL1894247 0.84 GPR35 (0.49) GSTM2MAPTTDP1MEN1KMT2A
SCHEMBL11507064 0.83 MAPT (0.57) GSTM2MAPTTDP1MEN1KMT2A
SCHEMBL31440090 0.83 GPR35 (0.43) GSTM2MAPTTDP1MEN1KMT2A
SCHEMBL3668042 0.82 SMN1; SMN2 (0.45) GSTM2MAPTTDP1MEN1KMT2A
SCHEMBL6469206 0.82 MAPT (0.62) MAPTTDP1MEN1KMT2AGPR35
SCHEMBL7745271 0.81 KAT2B (0.69) GSTM2MAPTMEN1KMT2ARAB9A
SCHEMBL11445418 0.80 MAPT (0.69) MAPTTDP1KMT2AGPR35ALDH1A1
SCHEMBL3764898 0.78 ALDH1A1 (0.51) MAPTTDP1MEN1KMT2AGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 GSTM2 3429/4885MAPT 4205/4885TDP1 3481/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 GSTM2 3895/4885MAPT 4194/4885TDP1 4618/4885

“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.