SCHEMBL5587203

SCHEMBL5587203

Cc1cccc(C)c1/N=C/c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.59
MAOA P21397 2/20 0.58
MAOB P27338 1/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PKM P14618 3/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.43
TOP2A P11388 1/20 0.43
HTT P42858 3/20 0.43

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
SCHEMBL5587206 1.00 NR4A1 (0.59) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5586983 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
Hydrochloric Acid SCHEMBL5664922 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5588769 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5589945 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5589966 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5590527 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
SCHEMBL5588955 0.98 NR4A1 (0.58) NR4A1MAOAMAOBGAARAB9A
Bromide SCHEMBL8068116 0.97 NR4A1 (0.56) NR4A1MAOAMAOBGAARAB9A
SCHEMBL3687480 0.86 NR4A1 (0.61) NR4A1MAOAMAOBGAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654952-B2 Nitrogen titanium complex, catalytic system comprising said nitrogen titanium complex and process for the (co)polymerization of conjugated dienes VERSALIS S.P.A. (IT) 2020-05-19 US disclosed
EP-3194409-B1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS SPA (IT) 2019-09-11 EP disclosed
US-20180201702-A1 NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2018-07-19 US disclosed
US-20180201702-A1 NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2018-07-19 US disclosed
US-20170247397-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2017-08-31 US disclosed
US-20170247397-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2017-08-31 US disclosed
WO-2016042014-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES VERSALIS S.P.A. (IT) 2016-03-24 WO disclosed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 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 (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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 NR4A1 557/4885MAOA 242/4885MAOB 359/4885
US-20180201702-A1 NITROGEN TITANIUM COMPLEX, CATALYTIC SYSTEM COMPRISING SAID NITROGEN TITANIUM COMPLEX AND PROCESS FOR THE (CO)POLYMERIZATION OF CONJUGATED DIENES NOX3, C5, C9 NR4A1 184/4885MAOA 653/4885MAOB 886/4885
US-20170247397-A1 PYRIDINE COMPLEX OF ZIRCONIUM, CATALYTIC SYSTEM COMPRISING SAID PYRIDINE COMPLEX OF ZIRCONIUM AND PROCESS OF (CO)POLYMERIZATION OF CONJUGATED DIENES SOD1, POR, NOX4 NR4A1 1194/4885MAOA 157/4885MAOB 170/4885
US-10654952-B2 Nitrogen titanium complex, catalytic system comprising said nitrogen titanium complex and process for the (co)polymerization of conjugated dienes CAT, NSFL1C, NCLN NR4A1 1652/4885MAOA 72/4885MAOB 61/4885

“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.