SCHEMBL965061

SCHEMBL965061

CNc1ccc(C(=O)NN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.59
CYP3A4 P08684 2/20 0.59
KDM5A P29375 1/20 0.59
BLM P54132 1/20 0.59
GFER P55789 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
MAPT P10636 5/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
OGG1 O15527 1/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CYP1A2 P05177 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL343630 0.83 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL2678949 0.83 MPO (0.80) MPOCYP3A4KDM5ABLMGFER
SCHEMBL8306146 0.82 HDAC2 (0.64) CYP3A4HIF1AALDH1A1CA2HDAC2
SCHEMBL19607546 0.82 MPO (0.64) MPOCYP3A4KDM5ABLMGFER
SCHEMBL6469729 0.82 MPO (0.64) MPOCYP3A4KDM5ABLMGFER
SCHEMBL28188923 0.81 MPO (0.76) MPOCYP3A4KDM5ABLMGFER
SCHEMBL8292215 0.80 MPO (0.61) MPOCYP3A4KDM5ABLMGFER
Hydrochloric Acid SCHEMBL28169553 0.80 MPO (0.61) MPOCYP3A4KDM5ABLMGFER
SCHEMBL17013406 0.80 NPC1 (0.69) MAPTKDM4ELMNAL3MBTL1CA1
SCHEMBL8420420 0.80 NPC1 (0.69) MAPTKDM4ELMNAL3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent UNIVERSITEIT GENT (BE) 2021-07-06 US disclosed
EP-3313858-B1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIV GENT (BE) 2019-09-25 EP disclosed
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT UNIVERSITEIT GENT (BE) 2019-01-03 US disclosed
EP-2248833-B1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE BRIDGESTONE CORP (JP) 2014-03-26 EP disclosed
CN-102099380-B Modified diene rubber, method for producing same, rubber composition using same, and tire BRIDGESTONE CORP 2014-03-12 CN disclosed
US-20130289165-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-10-31 US disclosed
EP-2655495-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE Compagnie Générale des Etablissements Michelin (FR) 2013-10-30 EP disclosed
CN-103261300-A Composition based on natural rubber and carbon black comprising hydrazide, hydrazone and polyamine MICHELIN RECH TECH 2013-08-21 CN disclosed
US-8389641-B2 Modified diene rubber, production method thereof, and rubber composition and tire using the rubber BRIDGESTONE CORPORATION (JP) 2013-03-05 US disclosed
WO-2012084821-A1 COMPOSITION BASED ON NATURAL RUBBER AND CARBON BLACK COMPRISING A HYDRAZIDE, A HYDRAZONE AND A POLYAMINE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2012-06-28 WO disclosed
CN-102099380-A Modified diene rubber, method for producing the same, rubber composition using the same, and tire BRIDGESTONE CORP 2011-06-15 CN disclosed
US-20110003911-A1 MODIFIED DIENE RUBBER, PRODUCTION METHOD THEREOF, AND RUBBER COMPOSITION AND TIRE USING THE RUBBER BRIDGESTONE CORPORATION (JP) 2011-01-06 US disclosed
EP-2248833-A1 MODIFIED DIENE RUBBER, METHOD FOR PRODUCING THE SAME, RUBBER COMPOSITION USING THE SAME, AND TIRE Bridgestone Corporation (JP) 2010-11-10 EP disclosed
US-20100249336-A1 MODIFIED NATURAL RUBBER AND METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION AND TIRE USING SUCH A MODIFIED NATURAL RUBBER BRIDGESTONE CORPORATION (JP) 2010-09-30 US disclosed
CN-101842393-A Modified natural rubber, process for producing the same, rubber composition and tire using the same BRIDGESTONE CORP 2010-09-22 CN disclosed
EP-2206730-A1 MODIFIED NATURAL RUBBER, PROCESS FOR PRODUCTION OF THE SAME, AND RUBBER COMPOSITION AND TIRE EACH COMPRISING THE SAME Bridgestone Corporation (JP) 2010-07-14 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-11053279-B2 Methods for the site-selective coupling of a first agent to a second agent PAICS, HNMT, DPYD MPO 860/4885CYP3A4 1817/4885KDM5A 1265/4885
US-20190002494-A1 METHODS FOR THE SITE-SELECTIVE COUPLING OF A FIRST AGENT TO A SECOND AGENT PAICS, HNMT, DPYD MPO 860/4885CYP3A4 1817/4885KDM5A 1265/4885

“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.