SCHEMBL10029425

SCHEMBL10029425

Cc1cc(C)c(N2C(c3ccccc3)C(c3ccccc3)N(c3c(C)cc(C)cc3C)C2C)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL15255363 0.90 ATM (0.35) ATMNPSR1SMN1; SMN2MAOBCYP1A2
SCHEMBL21142321 0.86 DPP4 (0.31)
SCHEMBL2230476 0.81 ELANE (0.35) NPSR1MAOBCYP1A2CYP2A6ALDH1A1
SCHEMBL12691975 0.80 MAOB (0.31) MAOBCYP1A2CYP2A6ALDH1A1SLC6A2
SCHEMBL12691903 0.78 MAOB (0.33) MAOB
SCHEMBL18643566 0.75 SLC6A2 (0.36) ATMNPSR1MAOBCYP1A2CYP2A6
SCHEMBL14578492 0.75 SLC6A2 (0.36) ATMNPSR1MAOBCYP1A2CYP2A6
SCHEMBL19367692 0.75 CYP1A2 (0.33) ATMNPSR1SMN1; SMN2MAOBCYP1A2
SCHEMBL10035307 0.75 SLC6A2 (0.36) ATMNPSR1MAOBCYP1A2CYP2A6
SCHEMBL12751334 0.74 ALDH1A1 (0.33) NPSR1SMN1; SMN2ALDH1A1HTT

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713361-B2 Hydrogenation catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2023-08-01 US disclosed
US-11673130-B2 Catalyst system containing a metathesis catalyst and at least one phenolic compound and a process for metathesis of nitrile-butadiene rubber (NBR) using the catalyst system ARLANXEO DEUTSCHLAND GMBH (DE) 2023-06-13 US disclosed
US-20180223005-A1 CATALYST COMPOSITIONS AND THEIR USE FOR HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2018-08-09 US disclosed
US-10011664-B2 Functionalized nitrile rubbers and the production thereof ARLANXEO DEUTSCHLAND GMBH (DE) 2018-07-03 US disclosed
US-10000584-B2 Hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2018-06-19 US disclosed
US-9920086-B2 Ruthenium-based complexes, their preparation and use as catalysts ARLANXEO DE GMBH (DE) 2018-03-20 US disclosed
US-9828401-B2 Ruthenium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-28 US disclosed
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-11-16 US disclosed
US-9802972-B2 Ruthenium- or osmium-based complex catalysts ARLANXEO DEUTSCHLAND GMBH (DE) 2017-10-31 US disclosed
US-9738671-B2 Cyclic bent allene metal complexes THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-08-22 US disclosed
US-7662889-B2 Process for the metathetic degradation of nitrile rubbers LANXESS DEUTSCHLAND GMBH (DE) 2010-02-16 US disclosed
US-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090076227-A1 PROCESS FOR THE METATHETIC DEGRADATION OF NITRILE RUBBER LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
US-20090069516-A1 CATALYST SYSTEMS AND THEIR USE FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-20090054597-A1 Metathesis of Nitrile Rubbers In the Presence of Transition Metal Complex Catalysts LANXESS DEUTSCHLAND GMBH (DE) 2009-02-26 US disclosed
US-7470750-B2 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2008-12-30 US disclosed
US-20080076881-A1 Process for the metathetic degradation of nitrile rubbers ARLANXEO DEUTSCHLAND GMBH (DE) 2008-03-27 US disclosed
US-20080064822-A1 Process for degrading nitrile rubbers in the presence of catalysts having an increased activity ARLANXEO DEUTSCHLAND GMBH (DE) 2008-03-13 US disclosed
US-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems LANXESS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-20070049700-A1 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2007-03-01 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 (3 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-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS MCM4, MNS1, TERT ATM 500/4885NPSR1 2504/4885SMN1; SMN2 1266/4885
US-20070208206-A1 Novel catalyst systems and a process for reacting chemical compounds in the presence of said catalyst systems NBAS, NNMT, CAT ATM 399/4885NPSR1 1782/4885SMN1; SMN2 1898/4885
US-20170327436-A1 1,3-BUTADIENE SYNTHESIS SQLE, FDFT1, ENO1 ATM 3963/4885NPSR1 3232/4885SMN1; SMN2 2665/4885

“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.