SCHEMBL3756443

SCHEMBL3756443

Nc1ccc(F)c([N+](=O)[O-])c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
HIF1A Q16665 1/20 0.42
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TDP1 Q9NUW8 5/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 2/20 0.37

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
SCHEMBL8066551 0.85 MEN1 (0.44) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL23035421 0.83 ALDH1A1 (0.42) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL6048769 0.82 MEN1 (0.48) ALDH1A1MEN1KMT2AUSP2KEAP1
SCHEMBL30488438 0.82 MEN1 (0.48) ALDH1A1MEN1KMT2AUSP2KEAP1
SCHEMBL15347823 0.82 TDP1 (0.47) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL19000152 0.80 ALDH1A1 (0.39) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL28017034 0.80 MAPK1 (0.43) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL23178591 0.80 ALDH1A1 (0.45) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL21248800 0.80 ALDH1A1 (0.45) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1
SCHEMBL7513494 0.79 ALDH1A1 (0.48) ALDH1A1HIF1AGRIN2DGRIN3BGRIN1

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 6 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
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 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 ALDH1A1 2741/4885HIF1A 635/4885GRIN2D 678/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 ALDH1A1 4352/4885HIF1A 666/4885GRIN2D 724/4885

“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.