SCHEMBL3682352

SCHEMBL3682352

CC(C)c1cccc(C(C)C)c1N=Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 1/20 0.48
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41
USP2 O75604 1/20 0.41
SLC2A1 P11166 1/20 0.41
LMNA P02545 2/20 0.40
TOP2A P11388 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 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
SCHEMBL3682351 1.00 NR4A1 (0.54) NR4A1MAOAMAOBGAAMEN1
SCHEMBL30931819 1.00 NR4A1 (0.54) NR4A1MAOAMAOBGAAMEN1
SCHEMBL32490152 1.00 NR4A1 (0.54) NR4A1MAOAMAOBGAAMEN1
SCHEMBL5589850 0.98 NR4A1 (0.53) NR4A1MAOAMAOBGAAMEN1
Hydrochloric Acid SCHEMBL5664626 0.98 NR4A1 (0.53) NR4A1MAOAMAOBGAAMEN1
Bromide SCHEMBL8057298 0.97 NR4A1 (0.51) NR4A1MAOAMAOBGAAMEN1
SCHEMBL3973168 0.93 NR4A1 (0.47) NR4A1MAOAMAOBGAAMEN1
SCHEMBL3973166 0.93 NR4A1 (0.47) NR4A1MAOAMAOBGAAMEN1
SCHEMBL18086818 0.91 NR4A1 (0.49) NR4A1MAOAMAOBGAAMEN1
SCHEMBL5588926 0.91 NR4A1 (0.49) NR4A1MAOAMAOBGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376592-A1 CURABLE SILICONE COMPOSITION, METHOD FOR MANUFACTURING AND CURING SAME, SILICONE CURED PRODUCT AND METHOD FOR MANUFACTURING SAME, AND [2+2+2] CYCLOADDITION REACTION PRODUCT AND METHOD FOR MANUFACTURING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-12-11 US disclosed
EP-4574214-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-06-25 EP disclosed
EP-4308573-B1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHROEDINGER INC (US) 2025-05-07 EP disclosed
EP-4545601-A1 CURABLE SILICONE COMPOSITION AND METHOD FOR PRODUCING SAME AND METHOD FOR CURING SAME, SILICONE CURED PRODUCT AND METHOD FOR PRODUCING SAME, AND [2+2+2] CYCLOADDITION REACTION PRODUCT AND METHOD FOR PRODUCING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-04-30 EP disclosed
CN-119317670-A Curable silicone composition, method for producing same, method for curing same, silicone cured product, method for producing same, and [2+2+2] cycloaddition reaction product and method for producing same 信越化学工业株式会社 2025-01-14 CN disclosed
US-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-06-20 US disclosed
EP-4308573-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2024-01-24 EP disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
WO-2023248892-A1 CURABLE SILICONE COMPOSITION AND METHOD FOR PRODUCING SAME AND METHOD FOR CURING SAME, SILICONE CURED PRODUCT AND METHOD FOR PRODUCING SAME, AND [2+2+2] CYCLOADDITION REACTION PRODUCT AND METHOD FOR PRODUCING SAME 信越化学工業株式会社 2023-12-28 WO disclosed
CN-117120447-A Cyclic compounds and methods of use thereof 薛定谔公司 2023-11-24 CN disclosed
WO-2014097199-A1 PROCESS FOR THE PREPARATION OF (CO) POLYMERS OF CONJUGATED DIENES IN THE PRESENCE OF A CATALYTIC SYSTEM COMPRISING A BIS-IMINE COMPLEX OF COBALT VERSALIS S.P.A. (IT) 2014-06-26 WO disclosed
US-20140011971-A1 IRON COMPLEXES AND METHODS FOR POLYMERIZATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-09 US disclosed
WO-2013078070-A1 BORON-CONTAINING SMALL MOLECULES ELI LILLY AND COMPANY (US) 2013-05-30 WO disclosed
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-01 US disclosed
WO-2009051956-A2 PYRAZOLE-SUBSTITUTED ISOXAZOLINE INSECTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-23 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
WO-2000018776-A1 DIMERIC DIIMINE TRANSITION METAL COMPLEX AND CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2000-04-06 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-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 NR4A1 4336/4885MAOA 3068/4885MAOB 2428/4885
US-20130131016-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, SLC7A5, BCL6 NR4A1 1586/4885MAOA 3471/4885MAOB 455/4885
US-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE MYB, KCNH2, INTS9 NR4A1 1645/4885MAOA 1529/4885MAOB 461/4885

“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.