SCHEMBL131663

SCHEMBL131663

O=C1c2ccccc2C(=O)N1CCC1(CBr)CO1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL17983008 0.84 GLS (0.45) GLSALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14381658 0.78 CYP1A2 (0.49) GLSALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL17983155 0.76 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19
SCHEMBL17983069 0.75 GLS (0.45) GLSTDP1L3MBTL1LMNASMN1; SMN2
SCHEMBL16655079 0.75 TDP1 (0.47) TDP1L3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL14821604 0.74 CYP1A2 (0.49) GLSALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL4759820 0.72 GLS (0.53) GLSTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL14821913 0.72 CYP1A2 (0.47) GLSALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL17983066 0.72 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL30434337 0.72 BCHE (0.63) GLSTDP1L3MBTL1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-9689840-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugate BIO-RAD LABORATORIES, INC. (US) 2017-06-27 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE BIO RAD LABORATORIES INC (US) 2016-08-04 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
US-9274103-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2016-03-01 US disclosed
EP-2547666-B1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO RAD LABORATORIES (US) 2015-11-04 EP disclosed
US-20140057293-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2014-02-27 US disclosed
US-20140057293-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2014-02-27 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
US-8536162-B2 Conjugates of 1,4,7-triazacyclononanes, dinuclear metal complexes of such conjugates, and methods of use for both 1,4,7-triazacyclononanes and conjugates BIO-RAD LABORATORIES, INC. (US) 2013-09-17 US disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2012-03-08 US disclosed
WO-2011115802-A1 CONJUGATES OF 1,4,7-TRIAZA-CYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZA-CYCLONONANES AND CONJUGATES BIO-RAD LABORATORIES, INC. (US) 2011-09-22 WO 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-20160223491-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATE CYP24A1, PTMS, CYP27B1 GLS 1217/4885TDP1 1817/4885L3MBTL1 3460/4885
US-20120058565-A1 CONJUGATES OF 1,4,7-TRIAZACYCLONONANES, DINUCLEAR METAL COMPLEXES OF SUCH CONJUGATES, AND METHODS OF USE FOR BOTH 1,4,7-TRIAZACYCLONONANES AND CONJUGATES CYP24A1, PTMS, CYP27B1 GLS 1163/4885TDP1 1766/4885L3MBTL1 3405/4885

“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.