SCHEMBL9969765

SCHEMBL9969765

O=[N+]([O-])c1ccc(Cn2cc(CCO)nn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.64
CYP19A1 P11511 2/20 0.58
TSHR P16473 1/20 0.54
GLS O94925 1/20 0.50
NOTUM Q6P988 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 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
SCHEMBL28945579 0.85 TGM2 (0.64) TGM2CYP19A1GLSNOTUMMEN1
SCHEMBL9969547 0.79 HDAC1 (0.61) CYP19A1NOTUMMEN1KMT2A
SCHEMBL19941362 0.79 NOTUM (0.56) CYP19A1NOTUM
SCHEMBL17978570 0.78 PTGS2 (0.50) CYP19A1TSHRNOTUM
SCHEMBL18028305 0.77 TGM2 (0.66) TGM2CYP19A1MEN1KMT2A
SCHEMBL17336905 0.77 TGM2 (0.82) TGM2CYP19A1MEN1KMT2A
SCHEMBL31415763 0.76 CYP19A1 (0.70) TGM2CYP19A1KMT2A
SCHEMBL31415762 0.76 CYP19A1 (0.70) TGM2CYP19A1KMT2A
SCHEMBL2823001 0.75 HDAC1 (0.63) TGM2CYP19A1NOTUM
SCHEMBL9969401 0.75 HDAC1 (0.63) CYP19A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TGM2 2317/4885CYP19A1 1310/4885TSHR 762/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TGM2 2317/4885CYP19A1 1310/4885TSHR 762/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC TGM2 1478/4885CYP19A1 3145/4885TSHR 3269/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 TGM2 2317/4885CYP19A1 1310/4885TSHR 762/4885

“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.